4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline

C13H14ClN3O — CID 64981819

IUPAC4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESClc1ccc(NCc2nc(C3CCC3)no2)cc1
InChIInChI=1S/C13H14ClN3O/c14-10-4-6-11(7-5-10)15-8-12-16-13(17-18-12)9-2-1-3-9/h4-7,9,15H,1-3,8H2
InChIKeyFZHGQJKHAPUQQN-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.60
Rot. Bonds4

About 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline

4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 64981819) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID64981819
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESClc1ccc(NCc2nc(C3CCC3)no2)cc1
InChIInChI=1S/C13H14ClN3O/c14-10-4-6-11(7-5-10)15-8-12-16-13(17-18-12)9-2-1-3-9/h4-7,9,15H,1-3,8H2
InChIKeyFZHGQJKHAPUQQN-UHFFFAOYSA-N
XLogP3.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
CID 47283180
N-[[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65401412
4-(azepan-1-ylsulfonyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60535047
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992
N-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 64981860
4-chloro-N-[[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79078244
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,5-dichloro-2-fluorophenyl)ethanamine
CID 167931558
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 126790892

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 64981819) is 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline is Clc1ccc(NCc2nc(C3CCC3)no2)cc1.
What is the InChIKey of 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is FZHGQJKHAPUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-4-6-11(7-5-10)15-8-12-16-13(17-18-12)9-2-1-3-9/h4-7,9,15H,1-3,8H2.
What are the key properties of 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 263.73 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 64981819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).