5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine

C20H16FN3O — CID 162625216

IUPAC5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
SMILESFc1ccc(Nc2ccccc2C2=N[C@@H](c3ccccc3)CO2)nc1
InChIInChI=1S/C20H16FN3O/c21-15-10-11-19(22-12-15)23-17-9-5-4-8-16(17)20-24-18(13-25-20)14-6-2-1-3-7-14/h1-12,18H,13H2,(H,22,23)/t18-/m1/s1
InChIKeyOHYHFSPAOGTRLG-GOSISDBHSA-N
MW333.37 g/mol
LogP4.48
Rot. Bonds4

About 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine

5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine (PubChem CID 162625216) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
PubChem CID162625216
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
SMILESFc1ccc(Nc2ccccc2C2=N[C@@H](c3ccccc3)CO2)nc1
InChIInChI=1S/C20H16FN3O/c21-15-10-11-19(22-12-15)23-17-9-5-4-8-16(17)20-24-18(13-25-20)14-6-2-1-3-7-14/h1-12,18H,13H2,(H,22,23)/t18-/m1/s1
InChIKeyOHYHFSPAOGTRLG-GOSISDBHSA-N
XLogP4.48
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine (CID 162625216) is 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine is Fc1ccc(Nc2ccccc2C2=N[C@@H](c3ccccc3)CO2)nc1.
What is the InChIKey of 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The InChIKey is OHYHFSPAOGTRLG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-15-10-11-19(22-12-15)23-17-9-5-4-8-16(17)20-24-18(13-25-20)14-6-2-1-3-7-14/h1-12,18H,13H2,(H,22,23)/t18-/m1/s1.
What are the key properties of 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine has a molecular weight of 333.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 162625216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).