N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide

C11H10N4O3 — CID 71874616

IUPACN-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(N)=O)n2)on1
InChIInChI=1S/C11H10N4O3/c1-6-5-8(18-15-6)11(17)14-9-4-2-3-7(13-9)10(12)16/h2-5H,1H3,(H2,12,16)(H,13,14,17)
InChIKeyOWDZWANYPKQFPI-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.73
Rot. Bonds3

About N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 71874616) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID71874616
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(N)=O)n2)on1
InChIInChI=1S/C11H10N4O3/c1-6-5-8(18-15-6)11(17)14-9-4-2-3-7(13-9)10(12)16/h2-5H,1H3,(H2,12,16)(H,13,14,17)
InChIKeyOWDZWANYPKQFPI-UHFFFAOYSA-N
XLogP0.73
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
6-benzamidopyridine-2-carboxamide
CID 69135492
N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107800749
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930098
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455

Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 71874616) is N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(C(N)=O)n2)on1.
What is the InChIKey of N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OWDZWANYPKQFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-5-8(18-15-6)11(17)14-9-4-2-3-7(13-9)10(12)16/h2-5H,1H3,(H2,12,16)(H,13,14,17).
What are the key properties of N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 246.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-2-pyridinyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71874616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).