3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide

C14H14N4O2 — CID 131746672

IUPAC3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide
SMILESCc1onc(CCC(N)=O)c1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H14N4O2/c1-8-14(11(18-20-8)4-5-13(15)19)9-2-3-10-12(6-9)17-7-16-10/h2-3,6-7H,4-5H2,1H3,(H2,15,19)(H,16,17)
InChIKeyPHJBCTWTKZRXEV-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.94
Rot. Bonds4

About 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide

3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide (PubChem CID 131746672) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide
PubChem CID131746672
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide
SMILESCc1onc(CCC(N)=O)c1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H14N4O2/c1-8-14(11(18-20-8)4-5-13(15)19)9-2-3-10-12(6-9)17-7-16-10/h2-3,6-7H,4-5H2,1H3,(H2,15,19)(H,16,17)
InChIKeyPHJBCTWTKZRXEV-UHFFFAOYSA-N
XLogP1.94
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3H-benzimidazol-5-yl)-2,3-dimethylbenzamide
CID 175533008
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 135755223
3-(3H-benzimidazol-5-yl)-4-(1-hydroxyethyl)benzamide
CID 171064601
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 166213858
3H-benzimidazol-5-amine;2,5-diamino-5-oxopentanoic acid
CID 174902670
2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82497800
3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 122180505
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 82373683

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide?
The IUPAC name of 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide (CID 131746672) is 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide is Cc1onc(CCC(N)=O)c1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide?
The InChIKey is PHJBCTWTKZRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-14(11(18-20-8)4-5-13(15)19)9-2-3-10-12(6-9)17-7-16-10/h2-3,6-7H,4-5H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide?
3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide has a molecular weight of 270.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3H-benzimidazol-5-yl)-5-methyl-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 131746672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).