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

C15H12N4O2 — CID 134009492

IUPAC3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)on1
InChIInChI=1S/C15H12N4O2/c1-10-7-13(21-19-10)15(20)18-12-8-16-14(17-9-12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)
InChIKeyCLSQISKAJJAUTE-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.69
Rot. Bonds3

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

3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide (PubChem CID 134009492) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
PubChem CID134009492
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)on1
InChIInChI=1S/C15H12N4O2/c1-10-7-13(21-19-10)15(20)18-12-8-16-14(17-9-12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)
InChIKeyCLSQISKAJJAUTE-UHFFFAOYSA-N
XLogP2.69
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461
2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
CID 99612025
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009413
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide (CID 134009492) is 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)on1.
What is the InChIKey of 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is CLSQISKAJJAUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10-7-13(21-19-10)15(20)18-12-8-16-14(17-9-12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20).
What are the key properties of 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 134009492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).