3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine

C14H17N3O — CID 106393976

IUPAC3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCc2ncon2)C1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-5-13(10)11-6-12(7-11)15-8-14-16-9-18-17-14/h2-5,9,11-12,15H,6-8H2,1H3
InChIKeyBALBHVCAFGRTOT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine

3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine (PubChem CID 106393976) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
PubChem CID106393976
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCc2ncon2)C1
InChIInChI=1S/C14H17N3O/c1-10-4-2-3-5-13(10)11-6-12(7-11)15-8-14-16-9-18-17-14/h2-5,9,11-12,15H,6-8H2,1H3
InChIKeyBALBHVCAFGRTOT-UHFFFAOYSA-N
XLogP2.41
TPSA50.95 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-oxadiazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45267348
3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 86783593
(1R)-2-(3,4-difluorophenyl)-1-(1,2,4-oxadiazol-3-yl)ethanamine
CID 177757387
1,2,4-Oxadiazol-3-yl(phenyl)methanamine
CID 43559070
(3-Fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 43559137
(4-Fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 43559153
(2-Fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 43559161
1,2,4-Oxadiazol-3-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 43559189
3-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 54903178
3-(3-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 54903272
3-(2-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 54903319
(4-Fluoro-3-methylphenyl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 62122096

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine (CID 106393976) is 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NCc2ncon2)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is BALBHVCAFGRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-2-3-5-13(10)11-6-12(7-11)15-8-14-16-9-18-17-14/h2-5,9,11-12,15H,6-8H2,1H3.
What are the key properties of 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 106393976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).