[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol

C15H15N3O2S — CID 110888227

IUPAC[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H15N3O2S/c1-10(16-12-5-2-4-11(8-12)9-19)15-17-14(18-20-15)13-6-3-7-21-13/h2-8,10,16,19H,9H2,1H3
InChIKeyYGHVEBRXXYNKOE-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.46
Rot. Bonds5

About [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol

[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol (PubChem CID 110888227) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
PubChem CID110888227
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H15N3O2S/c1-10(16-12-5-2-4-11(8-12)9-19)15-17-14(18-20-15)13-6-3-7-21-13/h2-8,10,16,19H,9H2,1H3
InChIKeyYGHVEBRXXYNKOE-UHFFFAOYSA-N
XLogP3.46
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]acetamide
CID 111110044
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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
CID 110900364
2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
CID 91642725
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 95299328
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 71942292
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
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621
5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94828409

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol (CID 110888227) is [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol is CC(Nc1cccc(CO)c1)c1nc(-c2cccs2)no1.
What is the InChIKey of [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol?
The InChIKey is YGHVEBRXXYNKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10(16-12-5-2-4-11(8-12)9-19)15-17-14(18-20-15)13-6-3-7-21-13/h2-8,10,16,19H,9H2,1H3.
What are the key properties of [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol?
[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol has a molecular weight of 301.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 110888227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).