(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine

C19H15FN4O — CID 67348415

IUPAC(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine
SMILESNC1=N[C@@](c2ccccc2)(c2ccc(F)c(-c3cncnc3)c2)CO1
InChIInChI=1S/C19H15FN4O/c20-17-7-6-15(8-16(17)13-9-22-12-23-10-13)19(11-25-18(21)24-19)14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,21,24)/t19-/m0/s1
InChIKeyAETBJKMNPVFBCD-IBGZPJMESA-N
MW334.35 g/mol
LogP2.87
Rot. Bonds3

About (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine

(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine (PubChem CID 67348415) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine
PubChem CID67348415
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine
SMILESNC1=N[C@@](c2ccccc2)(c2ccc(F)c(-c3cncnc3)c2)CO1
InChIInChI=1S/C19H15FN4O/c20-17-7-6-15(8-16(17)13-9-22-12-23-10-13)19(11-25-18(21)24-19)14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,21,24)/t19-/m0/s1
InChIKeyAETBJKMNPVFBCD-IBGZPJMESA-N
XLogP2.87
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine (CID 67348415) is (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine is NC1=N[C@@](c2ccccc2)(c2ccc(F)c(-c3cncnc3)c2)CO1.
What is the InChIKey of (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine?
The InChIKey is AETBJKMNPVFBCD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15FN4O/c20-17-7-6-15(8-16(17)13-9-22-12-23-10-13)19(11-25-18(21)24-19)14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,21,24)/t19-/m0/s1.
What are the key properties of (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine?
(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine has a molecular weight of 334.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-phenyl-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 67348415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).