2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol

C13H18N4O2 — CID 116808303

IUPAC2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCCN(C)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C13H18N4O2/c1-3-17(2)13-15-12(19-16-13)10-4-6-11(7-5-10)14-8-9-18/h4-7,14,18H,3,8-9H2,1-2H3
InChIKeyNZYVCYKFCJQPCG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.60
Rot. Bonds6

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

2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol (PubChem CID 116808303) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
PubChem CID116808303
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCCN(C)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C13H18N4O2/c1-3-17(2)13-15-12(19-16-13)10-4-6-11(7-5-10)14-8-9-18/h4-7,14,18H,3,8-9H2,1-2H3
InChIKeyNZYVCYKFCJQPCG-UHFFFAOYSA-N
XLogP1.60
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]phenol
CID 136994466
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
CID 60837428
5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790538
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 61412543
2-[4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 107925177
2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116702620
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493
3-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116809604
N,N,N'-trimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 133483793
4-[ethyl(methyl)amino]-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 86886639
1-ethyl-1-(2-hydroxyethyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 110933059
3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]propane-1,2-diol
CID 168597643

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The IUPAC name of 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol (CID 116808303) is 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol.
What is the SMILES notation for 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The canonical SMILES for 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol is CCN(C)c1noc(-c2ccc(NCCO)cc2)n1.
What is the InChIKey of 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The InChIKey is NZYVCYKFCJQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-17(2)13-15-12(19-16-13)10-4-6-11(7-5-10)14-8-9-18/h4-7,14,18H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol?
2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol is sourced from PubChem (CID 116808303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).