4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine

C14H12N4O — CID 2745721

IUPAC4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(N)n1
InChIInChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17)
InChIKeyXWMBSXFOZPVNQH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds2

About 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine (PubChem CID 2745721) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
PubChem CID2745721
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(N)n1
InChIInChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17)
InChIKeyXWMBSXFOZPVNQH-UHFFFAOYSA-N
XLogP2.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
CID 2765355
Akp-001
CID 11626055
(4S,6S)-4-(2,4-difluoro-5-pyrimidin-5-ylphenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 90253316
(4~{s},6~{s})-4-[2,4-Bis(Fluoranyl)-5-Pyrimidin-5-Yl-Phenyl]-6-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-4-Methyl-5,6-Dihydro-1,3-Thiazin-2-Amine
CID 90253366
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11654334
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665126
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
4-[3-(2,4-Dichlorophenyl)isoxazol-5-yl]pyrimidin-2-amine
CID 2745738
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine (CID 2745721) is 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine is Cc1onc(-c2ccccc2)c1-c1ccnc(N)n1.
What is the InChIKey of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
The InChIKey is XWMBSXFOZPVNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine?
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine has a molecular weight of 252.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 2745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).