3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide

C12H10N4O3 — CID 26017452

IUPAC3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)on1
InChIInChI=1S/C12H10N4O3/c1-6-4-10(19-16-6)11(17)13-7-2-3-8-9(5-7)15-12(18)14-8/h2-5H,1H3,(H,13,17)(H2,14,15,18)
InChIKeyPSPFLBSEGQJIKM-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.40
Rot. Bonds2

About 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide

3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 26017452) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID26017452
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)on1
InChIInChI=1S/C12H10N4O3/c1-6-4-10(19-16-6)11(17)13-7-2-3-8-9(5-7)15-12(18)14-8/h2-5H,1H3,(H,13,17)(H2,14,15,18)
InChIKeyPSPFLBSEGQJIKM-UHFFFAOYSA-N
XLogP1.40
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16880187
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-methyl-N-(1H-pyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 43429619
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide (CID 26017452) is 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)on1.
What is the InChIKey of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is PSPFLBSEGQJIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-6-4-10(19-16-6)11(17)13-7-2-3-8-9(5-7)15-12(18)14-8/h2-5H,1H3,(H,13,17)(H2,14,15,18).
What are the key properties of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 26017452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).