N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide

C15H12N4O2 — CID 2745719

IUPACN-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C15H12N4O2/c1-10(20)17-15-16-8-7-12(18-15)14-9-13(19-21-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18,20)
InChIKeyOSZGNMXDUIRKKS-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.76
Rot. Bonds3

About N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide

N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide (PubChem CID 2745719) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide
PubChem CID2745719
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C15H12N4O2/c1-10(20)17-15-16-8-7-12(18-15)14-9-13(19-21-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18,20)
InChIKeyOSZGNMXDUIRKKS-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide (CID 2745719) is N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(-c2cc(-c3ccccc3)no2)n1.
What is the InChIKey of N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide?
The InChIKey is OSZGNMXDUIRKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-10(20)17-15-16-8-7-12(18-15)14-9-13(19-21-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18,20).
What are the key properties of N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide?
N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide has a molecular weight of 280.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenyl-1,2-oxazol-5-yl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 2745719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).