5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid

C15H14N4O4 — CID 75368328

IUPAC5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)c2nc3ccccc3[nH]2)c1C(=O)O
InChIInChI=1S/C15H14N4O4/c1-7-11(15(21)22)12(23-19-7)8(2)16-14(20)13-17-9-5-3-4-6-10(9)18-13/h3-6,8H,1-2H3,(H,16,20)(H,17,18)(H,21,22)/t8-/m1/s1
InChIKeyPJDXROMEVNIRJI-MRVPVSSYSA-N
MW314.30 g/mol
LogP2.05
Rot. Bonds4

About 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid

5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368328) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID75368328
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)c2nc3ccccc3[nH]2)c1C(=O)O
InChIInChI=1S/C15H14N4O4/c1-7-11(15(21)22)12(23-19-7)8(2)16-14(20)13-17-9-5-3-4-6-10(9)18-13/h3-6,8H,1-2H3,(H,16,20)(H,17,18)(H,21,22)/t8-/m1/s1
InChIKeyPJDXROMEVNIRJI-MRVPVSSYSA-N
XLogP2.05
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
CID 162919311
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 25373344
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
3-methyl-5-[(1R)-1-(pyridin-3-ylcarbamoylamino)ethyl]-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 172884881
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
(3S)-3-[[(2S)-2-(1H-benzimidazole-2-carbonylamino)propanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 90983656
N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468789
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
3,5-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 18082542
N-(6-methyl-2-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 14371315
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 47120283

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 75368328) is 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc([C@@H](C)NC(=O)c2nc3ccccc3[nH]2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is PJDXROMEVNIRJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-7-11(15(21)22)12(23-19-7)8(2)16-14(20)13-17-9-5-3-4-6-10(9)18-13/h3-6,8H,1-2H3,(H,16,20)(H,17,18)(H,21,22)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(1H-benzimidazole-2-carbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).