5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one

C11H13N3O3S — CID 175516124

IUPAC5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one
SMILESCSc1ccccc1NCC(O)c1n[nH]c(=O)o1
InChIInChI=1S/C11H13N3O3S/c1-18-9-5-3-2-4-7(9)12-6-8(15)10-13-14-11(16)17-10/h2-5,8,12,15H,6H2,1H3,(H,14,16)
InChIKeyGDMAHMACHAMUHB-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.23
Rot. Bonds5

About 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one

5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 175516124) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID175516124
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one
SMILESCSc1ccccc1NCC(O)c1n[nH]c(=O)o1
InChIInChI=1S/C11H13N3O3S/c1-18-9-5-3-2-4-7(9)12-6-8(15)10-13-14-11(16)17-10/h2-5,8,12,15H,6H2,1H3,(H,14,16)
InChIKeyGDMAHMACHAMUHB-UHFFFAOYSA-N
XLogP1.23
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-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

5-[2-(3-bromoanilino)-1-hydroxyethyl]-3H-1,3,4-oxadiazol-2-one
CID 175516077
5-[2-hydroxy-3-(2-methylsulfanylanilino)propyl]-3H-1,3-oxazol-2-one
CID 175538790
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644664
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
6-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-3-methylsulfanyl-4H-1,2,4-triazin-5-one
CID 168639496
N-ethyl-3-(2-methylsulfanylanilino)propanamide
CID 107644721
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 103604907
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
2-methylsulfanyl-N-trimethylsilylaniline
CID 22717583

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one (CID 175516124) is 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one is CSc1ccccc1NCC(O)c1n[nH]c(=O)o1.
What is the InChIKey of 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GDMAHMACHAMUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-18-9-5-3-2-4-7(9)12-6-8(15)10-13-14-11(16)17-10/h2-5,8,12,15H,6H2,1H3,(H,14,16).
What are the key properties of 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one?
5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 267.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-(2-methylsulfanylanilino)ethyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 175516124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).