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

C19H17N3OS — CID 24971426

IUPAC3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESCc1cscc1-c1noc2cnc(N[C@@H](C)c3ccccc3)cc12
InChIInChI=1S/C19H17N3OS/c1-12-10-24-11-16(12)19-15-8-18(20-9-17(15)23-22-19)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyQNYZHMLWZSRWRH-ZDUSSCGKSA-N
MW335.43 g/mol
LogP5.43
Rot. Bonds4

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

3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (PubChem CID 24971426) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.

Molecular Properties

Compound Name3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
PubChem CID24971426
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESCc1cscc1-c1noc2cnc(N[C@@H](C)c3ccccc3)cc12
InChIInChI=1S/C19H17N3OS/c1-12-10-24-11-16(12)19-15-8-18(20-9-17(15)23-22-19)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyQNYZHMLWZSRWRH-ZDUSSCGKSA-N
XLogP5.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The IUPAC name of 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine (CID 24971426) is 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine.
What is the SMILES notation for 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The canonical SMILES for 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is Cc1cscc1-c1noc2cnc(N[C@@H](C)c3ccccc3)cc12.
What is the InChIKey of 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The InChIKey is QNYZHMLWZSRWRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-10-24-11-16(12)19-15-8-18(20-9-17(15)23-22-19)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine?
3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine has a molecular weight of 335.43 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]-[1,2]oxazolo[5,4-c]pyridin-5-amine is sourced from PubChem (CID 24971426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).