N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine

C21H18N4O — CID 162649680

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(Nc2nccc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H18N4O/c1-14-20(15(2)26-25-14)17-9-6-10-18(13-17)23-21-22-12-11-19(24-21)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,22,23,24)
InChIKeyPHMUQCVZSFXEOP-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.16
Rot. Bonds4

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine (PubChem CID 162649680) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine
PubChem CID162649680
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine
SMILESCc1noc(C)c1-c1cccc(Nc2nccc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H18N4O/c1-14-20(15(2)26-25-14)17-9-6-10-18(13-17)23-21-22-12-11-19(24-21)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,22,23,24)
InChIKeyPHMUQCVZSFXEOP-UHFFFAOYSA-N
XLogP5.16
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Risvodetinib
CID 122650693
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
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
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
CID 139339317
CID 139339317
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine (CID 162649680) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine is Cc1noc(C)c1-c1cccc(Nc2nccc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine?
The InChIKey is PHMUQCVZSFXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-20(15(2)26-25-14)17-9-6-10-18(13-17)23-21-22-12-11-19(24-21)16-7-4-3-5-8-16/h3-13H,1-2H3,(H,22,23,24).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 162649680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).