N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide

C21H15FN4O2 — CID 57467724

IUPACN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C21H15FN4O2/c22-16-8-6-15(7-9-16)20-19(17-10-11-23-13-24-17)21(28-26-20)25-18(27)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,25,27)
InChIKeyZVQXUHMGCNNPGQ-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.12
Rot. Bonds5

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

N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (PubChem CID 57467724) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
PubChem CID57467724
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC NameN-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C21H15FN4O2/c22-16-8-6-15(7-9-16)20-19(17-10-11-23-13-24-17)21(28-26-20)25-18(27)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,25,27)
InChIKeyZVQXUHMGCNNPGQ-UHFFFAOYSA-N
XLogP4.12
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Akp-001
CID 11626055
6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329532
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
6-cyclopropyl-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329883
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
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 10025788
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 10409523

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (CID 57467724) is N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The InChIKey is ZVQXUHMGCNNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-16-8-6-15(7-9-16)20-19(17-10-11-23-13-24-17)21(28-26-20)25-18(27)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,25,27).
What are the key properties of N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide has a molecular weight of 374.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 57467724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).