5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H11N3O4 — CID 107427235

IUPAC5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(C(=O)C1CC(C(=O)O)=NO1)c1cccnc1
InChIInChI=1S/C11H11N3O4/c1-14(7-3-2-4-12-6-7)10(15)9-5-8(11(16)17)13-18-9/h2-4,6,9H,5H2,1H3,(H,16,17)
InChIKeyXIZUVDFXBOHITC-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.27
Rot. Bonds3

About 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427235) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427235
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCN(C(=O)C1CC(C(=O)O)=NO1)c1cccnc1
InChIInChI=1S/C11H11N3O4/c1-14(7-3-2-4-12-6-7)10(15)9-5-8(11(16)17)13-18-9/h2-4,6,9H,5H2,1H3,(H,16,17)
InChIKeyXIZUVDFXBOHITC-UHFFFAOYSA-N
XLogP0.27
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427065
5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426726
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
5-[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427155
(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
CID 130774871
cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 124609562
4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 126766987
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 115151182
N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
CID 115177973
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427235) is 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CN(C(=O)C1CC(C(=O)O)=NO1)c1cccnc1.
What is the InChIKey of 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is XIZUVDFXBOHITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-14(7-3-2-4-12-6-7)10(15)9-5-8(11(16)17)13-18-9/h2-4,6,9H,5H2,1H3,(H,16,17).
What are the key properties of 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).