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

C16H14N4O2 — CID 2745748

IUPACN-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C16H14N4O2/c1-10-14(13-8-9-17-16(19-13)18-11(2)21)15(20-22-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19,21)
InChIKeyZXRPUDIWHVWKAR-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.07
Rot. Bonds3

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

N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide (PubChem CID 2745748) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
PubChem CID2745748
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2c(-c3ccccc3)noc2C)n1
InChIInChI=1S/C16H14N4O2/c1-10-14(13-8-9-17-16(19-13)18-11(2)21)15(20-22-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19,21)
InChIKeyZXRPUDIWHVWKAR-UHFFFAOYSA-N
XLogP3.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide (CID 2745748) is N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(-c2c(-c3ccccc3)noc2C)n1.
What is the InChIKey of N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide?
The InChIKey is ZXRPUDIWHVWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-14(13-8-9-17-16(19-13)18-11(2)21)15(20-22-10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19,21).
What are the key properties of N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide?
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 2745748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).