4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid

C14H13N3O3 — CID 95993414

IUPAC4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)ncn3C)noc1C(=O)O
InChIInChI=1S/C14H13N3O3/c1-3-9-12(16-20-13(9)14(18)19)8-4-5-11-10(6-8)15-7-17(11)2/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyCPDMTBWVLWNZRC-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.49
Rot. Bonds3

About 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid

4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 95993414) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID95993414
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)ncn3C)noc1C(=O)O
InChIInChI=1S/C14H13N3O3/c1-3-9-12(16-20-13(9)14(18)19)8-4-5-11-10(6-8)15-7-17(11)2/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyCPDMTBWVLWNZRC-UHFFFAOYSA-N
XLogP2.49
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 95991204
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
CID 116894060
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586339
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-(4-chlorophenyl)-N-[[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 22586334
[4-(1-methylbenzimidazol-5-yl)phenyl]-[4-(oxetan-2-ylmethyl)piperazin-1-yl]methanone
CID 134274078
5-[4-(benzylsulfonylmethyl)phenyl]-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030804
2-ethyl-1-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110801799
5-amino-1-ethyl-3-(1-methylbenzimidazol-5-yl)pyrazole-4-carbaldehyde
CID 95996033
N-ethyl-1-methyl-N-phenylbenzimidazole-5-carboxamide
CID 110692625

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid (CID 95993414) is 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid is CCc1c(-c2ccc3c(c2)ncn3C)noc1C(=O)O.
What is the InChIKey of 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is CPDMTBWVLWNZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-3-9-12(16-20-13(9)14(18)19)8-4-5-11-10(6-8)15-7-17(11)2/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid?
4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-methylbenzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 95993414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).