N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C18H19N5O2 — CID 118938210

IUPACN-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C#N)cc32)on1
InChIInChI=1S/C18H19N5O2/c1-11-7-16(25-22-11)23-14-8-12(10-19)5-6-13(14)20-17(23)21-15(24)9-18(2,3)4/h5-8H,9H2,1-4H3,(H,20,21,24)
InChIKeyKFYPDQNSAQOXQM-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.57
Rot. Bonds3

About N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 118938210) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID118938210
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C#N)cc32)on1
InChIInChI=1S/C18H19N5O2/c1-11-7-16(25-22-11)23-14-8-12(10-19)5-6-13(14)20-17(23)21-15(24)9-18(2,3)4/h5-8H,9H2,1-4H3,(H,20,21,24)
InChIKeyKFYPDQNSAQOXQM-UHFFFAOYSA-N
XLogP3.57
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 118697321
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118938285
(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
CID 118941494
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938438
(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide
CID 118938182
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
3,3-dimethyl-N-[6-methyl-1-[4-(trifluoromethoxy)phenyl]benzimidazol-2-yl]butanamide
CID 118941508
ethyl 3-(cyclobutadienyl)-2-(3,3-dimethylbutanoylamino)benzimidazole-5-carboxylate
CID 118938358
N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 139487142
N-[8-cyano-4-(3-methyl-1,2-oxazol-5-yl)-3,4,5,6-tetrahydro-1-benzazocin-2-yl]-3,3-dimethylbutanamide
CID 139518287
(3S)-N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
CID 129075695
N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide
CID 129075721

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 118938210) is N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C#N)cc32)on1.
What is the InChIKey of N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is KFYPDQNSAQOXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-7-16(25-22-11)23-14-8-12(10-19)5-6-13(14)20-17(23)21-15(24)9-18(2,3)4/h5-8H,9H2,1-4H3,(H,20,21,24).
What are the key properties of N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 337.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 118938210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).