ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C56H85N9O5S2 — CID 167678034

IUPACethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC(C)c1ccc2ncsc2n1.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H11NO2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.5C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;5*1-2/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;5*1-2H3
InChIKeyVCJWDBOXLAPAGK-UHFFFAOYSA-N
MW1028.49 g/mol
LogP15.51
Rot. Bonds5

About ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 167678034) has the molecular formula C56H85N9O5S2 and a molecular weight of 1028.49 g/mol. Its IUPAC name is ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Nameethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID167678034
Molecular FormulaC56H85N9O5S2
Molecular Weight1028.49 g/mol
Exact Mass1027.61
IUPAC Nameethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC(C)c1ccc2ncsc2n1.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H11NO2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.5C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;5*1-2/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;5*1-2H3
InChIKeyVCJWDBOXLAPAGK-UHFFFAOYSA-N
XLogP15.51
TPSA187.70 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001028.49
LogP ≤ 515.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

ethane;5-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157289898
2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 157336614
2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyrimidine;3-(2-methylpropyl)-1H-pyrrole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
CID 157434557
2,5-dimethylfuro[3,2-b]pyridine;2,6-dimethylfuro[3,2-b]pyridine;3,5-dimethylfuro[3,2-b]pyridine;3,6-dimethylfuro[3,2-b]pyridine;1,6-dimethylimidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;3,6-dimethylimidazo[4,5-b]pyridine;2,5-dimethyl-[1,3]oxazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine;3,5-dimethyl-[1,2]oxazolo[4,5-b]pyridine;3,6-dimethyl-[1,2]oxazolo[4,5-b]pyridine;2,6-dimethyl-3H-pyrrolo[3,2-b]pyridine;2,5-dimethyl-[1,3]thiazolo[4,5-b]pyridine;2,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;3,5-dimethyl-[1,2]thiazolo[4,5-b]pyridine;3,6-dimethyl-[1,2]thiazolo[4,5-b]pyridine;2,5-dimethylthieno[3,2-b]pyridine;2,6-dimethylthieno[3,2-b]pyridine;3,5-dimethylthieno[3,2-b]pyridine;3,6-dimethylthieno[3,2-b]pyridine
CID 157500818
CID 157645493
CID 157645493
5,7-dimethyl-2,6-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;5,7-dimethyl-2,6-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-7-ium;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyrimidine;5-methyl-2,6-di(propan-2-yl)furo[2,3-d]pyrimidine;7-methyl-2,6-di(propan-2-yl)furo[3,2-d]pyrimidine;3-methyl-2,6-di(propan-2-yl)imidazo[4,5-c]pyridine;7-methyl-2,8-di(propan-2-yl)purine;1-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;1-methyl-2,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;5-methyl-2,6-di(propan-2-yl)thieno[2,3-d]pyrimidine;7-methyl-2,6-di(propan-2-yl)thieno[3,2-d]pyrimidine
CID 157693630
5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
CID 158034302
2,6-Di(propan-2-yl)-1,3-benzoxazole;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,5-di(propan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine;ethane;propane
CID 158057807
CID 158350986
CID 158350986
7-methyl-5-propan-2-ylimidazo[1,2-a]pyrimidine;2-methyl-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;4-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine;bis(4-propan-2-ylfuro[2,3-b]pyridine);7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[2,3-d]pyrimidine;7-propan-2-yloxadiazolo[5,4-b]pyridine;7-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine;7-propan-2-yl-[1,3]oxazolo[4,5-d]pyrimidine;7-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine);tris(7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine);bis(7-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidine);bis(7-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine);4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine
CID 158789708
N-(6-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide;5-methyl-N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)furan-2-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3-oxazole-2-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2H-pyrrole-5-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)thiophene-2-carboxamide;N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)thiophene-3-carboxamide
CID 158900001
7-methyl-5-propan-2-ylimidazo[1,2-a]pyrimidine;2-methyl-4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;bis(4-propan-2-ylfuro[2,3-b]pyridine);7-propan-2-ylfuro[3,2-b]pyridine;4-propan-2-ylfuro[2,3-d]pyrimidine;7-propan-2-yloxadiazolo[5,4-b]pyridine;7-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine;7-propan-2-yl-[1,3]oxazolo[4,5-d]pyrimidine;7-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;bis(7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine);tris(7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine);bis(7-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidine);bis(7-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine);bis(4-propan-2-ylthieno[2,3-b]pyridine);7-propan-2-ylthieno[3,2-b]pyridine;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine
CID 159725214

Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 167678034) is ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is CC.CC.CC.CC.CC.CC(C)c1ccc2ncsc2n1.CC(C)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2.
What is the InChIKey of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is VCJWDBOXLAPAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.5C2H6/c1-6(2)7-3-4-11-8-5-9(12)13-10(7)8;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;5*1-2/h3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;5*1-2H3.
What are the key properties of ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1028.49 g/mol, XLogP of 15.51, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 167678034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).