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

C100H190N10O3S2 — CID 158057807

IUPAC2,6-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
SMILESCC.CC.CC.CC.CC.CC(C)c1cc2oc(C(C)C)nc2cn1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1cnc2nc(C(C)C)oc2c1.CC(C)c1cnc2nc(C(C)C)sc2c1.CC(C)c1ncc2nc(C(C)C)sc2n1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C13H17NO.2C12H16N2O.C12H16N2S.C11H15N3S.10C3H8.5C2H6/c1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-7(2)9-5-11-10(6-13-9)14-12(15-11)8(3)4;2*1-7(2)9-5-10-11(13-6-9)14-12(15-10)8(3)4;1-6(2)9-12-5-8-11(14-9)15-10(13-8)7(3)4;10*1-3-2;5*1-2/h5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;10*3H2,1-2H3;5*1-2H3
InChIKeyFKGWWOLIQTULAO-UHFFFAOYSA-N
MW1644.82 g/mol
LogP37.58
Rot. Bonds10

About 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

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 (PubChem CID 158057807) has the molecular formula C100H190N10O3S2 and a molecular weight of 1644.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID158057807
Molecular FormulaC100H190N10O3S2
Molecular Weight1644.82 g/mol
Exact Mass1643.45
IUPAC Name2,6-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
SMILESCC.CC.CC.CC.CC.CC(C)c1cc2oc(C(C)C)nc2cn1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1cnc2nc(C(C)C)oc2c1.CC(C)c1cnc2nc(C(C)C)sc2c1.CC(C)c1ncc2nc(C(C)C)sc2n1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC
InChIInChI=1S/C13H17NO.2C12H16N2O.C12H16N2S.C11H15N3S.10C3H8.5C2H6/c1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-7(2)9-5-11-10(6-13-9)14-12(15-11)8(3)4;2*1-7(2)9-5-10-11(13-6-9)14-12(15-10)8(3)4;1-6(2)9-12-5-8-11(14-9)15-10(13-8)7(3)4;10*1-3-2;5*1-2/h5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;10*3H2,1-2H3;5*1-2H3
InChIKeyFKGWWOLIQTULAO-UHFFFAOYSA-N
XLogP37.58
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001644.82
LogP ≤ 537.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160676374
1-Methoxy-4-methylbenzene;2-methyl-1,3-benzoxazole;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 161612024
4-Chloro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline;2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4-(trifluoromethyl)aniline;2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(trifluoromethyl)aniline
CID 162163881
1-[5-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-yl]-1-[[5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-thiazol-2-yl]-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoyl]amino]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 67488014
1-[5-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea;1-[5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 87418994
2-([1,3]Thiazolo[4,5-b]pyridin-6-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 126703147
2-([1,3]Thiazolo[4,5-b]pyridin-6-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 130267539
2-([1,3]Thiazolo[4,5-b]pyridin-5-yl)-6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 134598633
4-[13-(8-Thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 138721896
4-[13-(3,8,10,12-Tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)-8-thia-3,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721914
12-(8-Oxa-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-11-yl)-4-(8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)-8-oxa-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721915

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC(C)c1cc2oc(C(C)C)nc2cn1.CC(C)c1ccc2nc(C(C)C)oc2c1.CC(C)c1cnc2nc(C(C)C)oc2c1.CC(C)c1cnc2nc(C(C)C)sc2c1.CC(C)c1ncc2nc(C(C)C)sc2n1.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.
What is the InChIKey of 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?
The InChIKey is FKGWWOLIQTULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.2C12H16N2O.C12H16N2S.C11H15N3S.10C3H8.5C2H6/c1-8(2)10-5-6-11-12(7-10)15-13(14-11)9(3)4;1-7(2)9-5-11-10(6-13-9)14-12(15-11)8(3)4;2*1-7(2)9-5-10-11(13-6-9)14-12(15-10)8(3)4;1-6(2)9-12-5-8-11(14-9)15-10(13-8)7(3)4;10*1-3-2;5*1-2/h5-9H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3;10*3H2,1-2H3;5*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1644.82 g/mol, XLogP of 37.58, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158057807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).