6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C14H9ClN4O2 — CID 44634187

IUPAC6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccon1)c1cc(-c2cccc(Cl)c2)ncn1
InChIInChI=1S/C14H9ClN4O2/c15-10-3-1-2-9(6-10)11-7-12(17-8-16-11)14(20)18-13-4-5-21-19-13/h1-8H,(H,18,19,20)
InChIKeyRENBQSFCESFCMD-UHFFFAOYSA-N
MW300.71 g/mol
LogP3.04
Rot. Bonds3

About 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide

6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 44634187) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID44634187
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccon1)c1cc(-c2cccc(Cl)c2)ncn1
InChIInChI=1S/C14H9ClN4O2/c15-10-3-1-2-9(6-10)11-7-12(17-8-16-11)14(20)18-13-4-5-21-19-13/h1-8H,(H,18,19,20)
InChIKeyRENBQSFCESFCMD-UHFFFAOYSA-N
XLogP3.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chlorophenyl)-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 44634057
4-chloro-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 45497358
6-(3-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
CID 67218065
6-(3-chlorophenyl)-N-methylsulfinylpyrimidine-4-carboxamide
CID 123262355
6-(3-chlorophenyl)-N-[(1R)-1-phenylethyl]pyrimidine-4-carboxamide
CID 44634188
bis(1-[6-(3-chlorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylethanone);hydrochloride
CID 160624132
6-amino-N-(1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62904493
5-chloro-N-(1,2-oxazol-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618798
2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 25236389
6-(3-chlorophenyl)pyrimidine-4-carboxylic acid;1-[6-(3-chlorophenyl)pyrimidin-4-yl]-3-hydroxyiminobutan-1-one;5-[6-(3-chlorophenyl)pyrimidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 158063159
N-(3-chlorophenyl)-4-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 46327430
6-chloro-N-(1,2-oxazol-3-yl)-1H-benzimidazole-2-carboxamide
CID 56859530

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 44634187) is 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide is O=C(Nc1ccon1)c1cc(-c2cccc(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is RENBQSFCESFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-10-3-1-2-9(6-10)11-7-12(17-8-16-11)14(20)18-13-4-5-21-19-13/h1-8H,(H,18,19,20).
What are the key properties of 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 300.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-(1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 44634187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).