3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine

C20H17N3O — CID 24971416

IUPAC3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESC[C@H](Nc1cc2c(-c3ccccc3)noc2cn1)c1ccccc1
InChIInChI=1S/C20H17N3O/c1-14(15-8-4-2-5-9-15)22-19-12-17-18(13-21-19)24-23-20(17)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,22)/t14-/m0/s1
InChIKeyRLARTPHANIERPF-AWEZNQCLSA-N
MW315.38 g/mol
LogP5.06
Rot. Bonds4

About 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine

3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (PubChem CID 24971416) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.

Molecular Properties

Compound Name3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
PubChem CID24971416
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESC[C@H](Nc1cc2c(-c3ccccc3)noc2cn1)c1ccccc1
InChIInChI=1S/C20H17N3O/c1-14(15-8-4-2-5-9-15)22-19-12-17-18(13-21-19)24-23-20(17)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,22)/t14-/m0/s1
InChIKeyRLARTPHANIERPF-AWEZNQCLSA-N
XLogP5.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-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

CID 24941248
CID 24941248
CID 24971422
CID 24971422
CID 24971417
CID 24971417
CID 24971419
CID 24971419
CID 24971420
CID 24971420
CID 24971423
CID 24971423
CID 24971426
CID 24971426
CID 2745719
CID 2745719
CID 46226905
CID 46226905
CID 155813831
CID 155813831
CID 24971418
CID 24971418
CID 24971421
CID 24971421

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The IUPAC name of 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (CID 24971416) is 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.
What is the SMILES notation for 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The canonical SMILES for 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is C[C@H](Nc1cc2c(-c3ccccc3)noc2cn1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The InChIKey is RLARTPHANIERPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14(15-8-4-2-5-9-15)22-19-12-17-18(13-21-19)24-23-20(17)16-10-6-3-7-11-16/h2-14H,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine has a molecular weight of 315.38 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is sourced from PubChem (CID 24971416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).