4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole

C17H16N4O — CID 140959607

IUPAC4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1cc2[nH]c3cc(-c4c(C)noc4C)cnc3c2cn1
InChIInChI=1S/C17H16N4O/c1-4-12-6-14-13(8-18-12)17-15(20-14)5-11(7-19-17)16-9(2)21-22-10(16)3/h5-8,20H,4H2,1-3H3
InChIKeyWLRLZVOERHTQPF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.95
Rot. Bonds2

About 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole

4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 140959607) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID140959607
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCCc1cc2[nH]c3cc(-c4c(C)noc4C)cnc3c2cn1
InChIInChI=1S/C17H16N4O/c1-4-12-6-14-13(8-18-12)17-15(20-14)5-11(7-19-17)16-9(2)21-22-10(16)3/h5-8,20H,4H2,1-3H3
InChIKeyWLRLZVOERHTQPF-UHFFFAOYSA-N
XLogP3.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

carbon dioxide;4-(11-ethyl-8-heptan-4-yl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole
CID 161200720
methyl 7-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrido[3,2-b]indole-3-carboxylate
CID 122688323
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methylazanium
CID 58024804
3,5-dimethyl-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-1,2-oxazole;4-(3-iodo-1H-pyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 159164518
4-(6-methoxy-5-methyl-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 147829437
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
4-(1H-indazol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 118937091
4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 144744363
3,5-dimethyl-4-([1,3]thiazolo[4,5-b]pyridin-6-yl)-1,2-oxazole
CID 130383084
4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 158037863
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodopyrrolo[3,2-b]pyridin-1-yl]-tri(propan-2-yl)silane
CID 123413559
5-(cyclopentylmethylsulfonyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-quinoxalin-1-ium 1-oxide;5-(cyclopentylmethylsulfonyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-quinoxalin-2-one
CID 161119931

Frequently Asked Questions

What is the IUPAC name of 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole (CID 140959607) is 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole is CCc1cc2[nH]c3cc(-c4c(C)noc4C)cnc3c2cn1.
What is the InChIKey of 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is WLRLZVOERHTQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-4-12-6-14-13(8-18-12)17-15(20-14)5-11(7-19-17)16-9(2)21-22-10(16)3/h5-8,20H,4H2,1-3H3.
What are the key properties of 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole?
4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 292.34 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-ethyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 140959607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).