2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol

C15H21N3O3 — CID 116702620

IUPAC2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCCCC(OC)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C15H21N3O3/c1-3-4-13(20-2)14-17-15(21-18-14)11-5-7-12(8-6-11)16-9-10-19/h5-8,13,16,19H,3-4,9-10H2,1-2H3
InChIKeyPOVKTLBAJAXPAD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.63
Rot. Bonds8

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

2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (PubChem CID 116702620) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.

Molecular Properties

Compound Name2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
PubChem CID116702620
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
SMILESCCCC(OC)c1noc(-c2ccc(NCCO)cc2)n1
InChIInChI=1S/C15H21N3O3/c1-3-4-13(20-2)14-17-15(21-18-14)11-5-7-12(8-6-11)16-9-10-19/h5-8,13,16,19H,3-4,9-10H2,1-2H3
InChIKeyPOVKTLBAJAXPAD-UHFFFAOYSA-N
XLogP2.63
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136983312
2-chloro-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702452
2-bromo-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813831
2-amino-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 116702518
2-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 61412543
5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811752
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)anilino]ethanol
CID 60837428
2-[4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 116808303
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116704839
5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790538
2-[4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]anilino]ethanol
CID 65196493
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751285

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The IUPAC name of 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol (CID 116702620) is 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol.
What is the SMILES notation for 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The canonical SMILES for 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is CCCC(OC)c1noc(-c2ccc(NCCO)cc2)n1.
What is the InChIKey of 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
The InChIKey is POVKTLBAJAXPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-4-13(20-2)14-17-15(21-18-14)11-5-7-12(8-6-11)16-9-10-19/h5-8,13,16,19H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol?
2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol has a molecular weight of 291.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]anilino]ethanol is sourced from PubChem (CID 116702620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).