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

C14H17N3O — CID 81317921

IUPAC[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1Cc1nc(C2CCC2)no1
InChIInChI=1S/C14H17N3O/c15-9-12-5-2-1-4-11(12)8-13-16-14(17-18-13)10-6-3-7-10/h1-2,4-5,10H,3,6-9,15H2
InChIKeyYTUCHRWHEFPMEY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.39
Rot. Bonds4

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

[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine (PubChem CID 81317921) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
PubChem CID81317921
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
SMILESNCc1ccccc1Cc1nc(C2CCC2)no1
InChIInChI=1S/C14H17N3O/c15-9-12-5-2-1-4-11(12)8-13-16-14(17-18-13)10-6-3-7-10/h1-2,4-5,10H,3,6-9,15H2
InChIKeyYTUCHRWHEFPMEY-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81317850
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535937
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562273
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine (CID 81317921) is [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine is NCc1ccccc1Cc1nc(C2CCC2)no1.
What is the InChIKey of [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
The InChIKey is YTUCHRWHEFPMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-12-5-2-1-4-11(12)8-13-16-14(17-18-13)10-6-3-7-10/h1-2,4-5,10H,3,6-9,15H2.
What are the key properties of [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine?
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 81317921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).