[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C14H17N3O — CID 66989058

IUPAC[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(CCC3CC3)n2)cc1
InChIInChI=1S/C14H17N3O/c15-9-11-3-6-12(7-4-11)14-16-13(18-17-14)8-5-10-1-2-10/h3-4,6-7,10H,1-2,5,8-9,15H2
InChIKeyATDLMZJUYJEQFE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds5

About [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 66989058) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID66989058
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(CCC3CC3)n2)cc1
InChIInChI=1S/C14H17N3O/c15-9-11-3-6-12(7-4-11)14-16-13(18-17-14)8-5-10-1-2-10/h3-4,6-7,10H,1-2,5,8-9,15H2
InChIKeyATDLMZJUYJEQFE-UHFFFAOYSA-N
XLogP2.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506
3-(4-ethylphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216212
3-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921225
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-[4-(phenoxymethyl)phenyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 120839426
[4-[5-[(1,1-dioxothiolan-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893466
3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-5-propyl-1,2,4-oxadiazole
CID 101044576
5-butyl-3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 3304464
1-(4-fluorophenyl)-N,N-dimethyl-1-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexyl]methanamine
CID 68959928
[4-[2-(2-cyclopropylethyl)-5-methyl-1,3-thiazol-4-yl]phenyl]methanamine
CID 58495685
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
3-(3,5-dichlorophenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 104880665

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 66989058) is [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is NCc1ccc(-c2noc(CCC3CC3)n2)cc1.
What is the InChIKey of [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is ATDLMZJUYJEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-11-3-6-12(7-4-11)14-16-13(18-17-14)8-5-10-1-2-10/h3-4,6-7,10H,1-2,5,8-9,15H2.
What are the key properties of [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 66989058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).