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

C18H15N3OS — CID 24971425

IUPACN-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESC[C@H](Nc1cc2c(-c3cccs3)noc2cn1)c1ccccc1
InChIInChI=1S/C18H15N3OS/c1-12(13-6-3-2-4-7-13)20-17-10-14-15(11-19-17)22-21-18(14)16-8-5-9-23-16/h2-12H,1H3,(H,19,20)/t12-/m0/s1
InChIKeyHMLWZSKONNDQRL-LBPRGKRZSA-N
MW321.41 g/mol
LogP5.12
Rot. Bonds4

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

N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine (PubChem CID 24971425) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine
PubChem CID24971425
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine
SMILESC[C@H](Nc1cc2c(-c3cccs3)noc2cn1)c1ccccc1
InChIInChI=1S/C18H15N3OS/c1-12(13-6-3-2-4-7-13)20-17-10-14-15(11-19-17)22-21-18(14)16-8-5-9-23-16/h2-12H,1H3,(H,19,20)/t12-/m0/s1
InChIKeyHMLWZSKONNDQRL-LBPRGKRZSA-N
XLogP5.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine (CID 24971425) is N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine is C[C@H](Nc1cc2c(-c3cccs3)noc2cn1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine?
The InChIKey is HMLWZSKONNDQRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12(13-6-3-2-4-7-13)20-17-10-14-15(11-19-17)22-21-18(14)16-8-5-9-23-16/h2-12H,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine?
N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine has a molecular weight of 321.41 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-3-thiophen-2-yl-[1,2]oxazolo[5,4-c]pyridin-5-amine is sourced from PubChem (CID 24971425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).