4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C16H13F3N4O — CID 170383366

IUPAC4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCNc1nccc(-c2cccc(-c3ccon3)c2)n1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)6-8-21-15-20-7-4-13(22-15)11-2-1-3-12(10-11)14-5-9-24-23-14/h1-5,7,9-10H,6,8H2,(H,20,21,22)
InChIKeySWYGUFYDWNGVSQ-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.16
Rot. Bonds5

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

4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 170383366) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID170383366
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESFC(F)(F)CCNc1nccc(-c2cccc(-c3ccon3)c2)n1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)6-8-21-15-20-7-4-13(22-15)11-2-1-3-12(10-11)14-5-9-24-23-14/h1-5,7,9-10H,6,8H2,(H,20,21,22)
InChIKeySWYGUFYDWNGVSQ-UHFFFAOYSA-N
XLogP4.16
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
2-(2-fluorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197758
N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67198791
2-(2,5-dimethylphenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67199939
2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinamine
CID 68642339
5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 68643387

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 170383366) is 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine is FC(F)(F)CCNc1nccc(-c2cccc(-c3ccon3)c2)n1.
What is the InChIKey of 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is SWYGUFYDWNGVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)6-8-21-15-20-7-4-13(22-15)11-2-1-3-12(10-11)14-5-9-24-23-14/h1-5,7,9-10H,6,8H2,(H,20,21,22).
What are the key properties of 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 334.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2-oxazol-3-yl)phenyl]-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 170383366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).