2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol

C13H17N3O2 — CID 104827059

IUPAC2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccccc1NCCc1nc(CCO)no1
InChIInChI=1S/C13H17N3O2/c1-10-4-2-3-5-11(10)14-8-6-13-15-12(7-9-17)16-18-13/h2-5,14,17H,6-9H2,1H3
InChIKeyINORJNAHNGOMOW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.57
Rot. Bonds6

About 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol

2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104827059) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104827059
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccccc1NCCc1nc(CCO)no1
InChIInChI=1S/C13H17N3O2/c1-10-4-2-3-5-11(10)14-8-6-13-15-12(7-9-17)16-18-13/h2-5,14,17H,6-9H2,1H3
InChIKeyINORJNAHNGOMOW-UHFFFAOYSA-N
XLogP1.57
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65130527
N-[2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65137269
N-[2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 63719237
N-[2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 64981815
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 120862662
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
2-methyl-N-[2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 65403053
3-(2-methylanilino)propan-1-ol
CID 18005925
5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine
CID 67968193
2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
CID 60837443
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 104827059) is 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol is Cc1ccccc1NCCc1nc(CCO)no1.
What is the InChIKey of 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is INORJNAHNGOMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-4-2-3-5-11(10)14-8-6-13-15-12(7-9-17)16-18-13/h2-5,14,17H,6-9H2,1H3.
What are the key properties of 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104827059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).