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

C21H19N3O — CID 24971424

IUPAC3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESC[C@H](Nc1cc2c(Cc3ccccc3)noc2cn1)c1ccccc1
InChIInChI=1S/C21H19N3O/c1-15(17-10-6-3-7-11-17)23-21-13-18-19(24-25-20(18)14-22-21)12-16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyBOJMKEOOGVQEAQ-HNNXBMFYSA-N
MW329.40 g/mol
LogP4.99
Rot. Bonds5

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

3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (PubChem CID 24971424) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.

Molecular Properties

Compound Name3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
PubChem CID24971424
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESC[C@H](Nc1cc2c(Cc3ccccc3)noc2cn1)c1ccccc1
InChIInChI=1S/C21H19N3O/c1-15(17-10-6-3-7-11-17)23-21-13-18-19(24-25-20(18)14-22-21)12-16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyBOJMKEOOGVQEAQ-HNNXBMFYSA-N
XLogP4.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The IUPAC name of 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (CID 24971424) is 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.
What is the SMILES notation for 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The canonical SMILES for 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is C[C@H](Nc1cc2c(Cc3ccccc3)noc2cn1)c1ccccc1.
What is the InChIKey of 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The InChIKey is BOJMKEOOGVQEAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15(17-10-6-3-7-11-17)23-21-13-18-19(24-25-20(18)14-22-21)12-16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine has a molecular weight of 329.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is sourced from PubChem (CID 24971424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).