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

C20H16ClN3O — CID 162625217

IUPAC5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
SMILESClc1ccc(Nc2ccccc2C2=N[C@@H](c3ccccc3)CO2)nc1
InChIInChI=1S/C20H16ClN3O/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
InChIKeyQYXORZRFGCSBOA-GOSISDBHSA-N
MW349.82 g/mol
LogP5.00
Rot. Bonds4

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

5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine (PubChem CID 162625217) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
PubChem CID162625217
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine
SMILESClc1ccc(Nc2ccccc2C2=N[C@@H](c3ccccc3)CO2)nc1
InChIInChI=1S/C20H16ClN3O/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
InChIKeyQYXORZRFGCSBOA-GOSISDBHSA-N
XLogP5.00
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(2-chlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954806
(S)-N-(2,4-dichlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954808
(S)-N-(3-chlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955167
(S)-N-(3,4-dichlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955168
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(S)-N-(4-chlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955526
(S)-5-((2-phenylmorpholino)methyl)-N-p-tolylpyridin-2-amine
CID 24955527
(4S)-4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 56967480
5-chloro-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine
CID 68325393
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 68325622
5-chloro-N-(2-fluoro-4-morpholin-2-ylphenyl)pyridin-2-amine
CID 68325682

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine (CID 162625217) is 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine is Clc1ccc(Nc2ccccc2C2=N[C@@H](c3ccccc3)CO2)nc1.
What is the InChIKey of 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
The InChIKey is QYXORZRFGCSBOA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H16ClN3O/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-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine?
5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine has a molecular weight of 349.82 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 162625217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).