5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one

C15H12N4O3S — CID 95299328

IUPAC5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
SMILESC[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H12N4O3S/c1-8(14-18-13(19-22-14)12-3-2-6-23-12)16-9-4-5-11-10(7-9)17-15(20)21-11/h2-8,16H,1H3,(H,17,20)/t8-/m0/s1
InChIKeyOSMAIIBGKCBUNE-QMMMGPOBSA-N
MW328.35 g/mol
LogP3.41
Rot. Bonds4

About 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one

5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one (PubChem CID 95299328) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID95299328
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
SMILESC[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H12N4O3S/c1-8(14-18-13(19-22-14)12-3-2-6-23-12)16-9-4-5-11-10(7-9)17-15(20)21-11/h2-8,16H,1H3,(H,17,20)/t8-/m0/s1
InChIKeyOSMAIIBGKCBUNE-QMMMGPOBSA-N
XLogP3.41
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one 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

2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
CID 91642725
6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 71942292
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 51078417
[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
CID 110888227
2-hydroxy-N-[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]acetamide
CID 111110044
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38467487
3-fluoro-4-(2-methoxyphenoxy)-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60583139
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
5-[1-(2-chlorophenyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 43741517
5-[1-(5-fluoro-2-pyridinyl)ethylamino]-3H-1,3-benzoxazol-2-one
CID 83118011

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one (CID 95299328) is 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one is C[C@H](Nc1ccc2oc(=O)[nH]c2c1)c1nc(-c2cccs2)no1.
What is the InChIKey of 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is OSMAIIBGKCBUNE-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-8(14-18-13(19-22-14)12-3-2-6-23-12)16-9-4-5-11-10(7-9)17-15(20)21-11/h2-8,16H,1H3,(H,17,20)/t8-/m0/s1.
What are the key properties of 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one?
5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 328.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 95299328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).