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

C13H14ClN3O — CID 114183034

IUPAC3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
SMILESClc1ccccc1C1CC(NCc2ncon2)C1
InChIInChI=1S/C13H14ClN3O/c14-12-4-2-1-3-11(12)9-5-10(6-9)15-7-13-16-8-18-17-13/h1-4,8-10,15H,5-7H2
InChIKeyZNKJWZMEFFEDOB-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.76
Rot. Bonds4

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

3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine (PubChem CID 114183034) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
PubChem CID114183034
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
SMILESClc1ccccc1C1CC(NCc2ncon2)C1
InChIInChI=1S/C13H14ClN3O/c14-12-4-2-1-3-11(12)9-5-10(6-9)15-7-13-16-8-18-17-13/h1-4,8-10,15H,5-7H2
InChIKeyZNKJWZMEFFEDOB-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
CID 106393976
3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
CID 64545634
3-(2-chlorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclobutan-1-amine
CID 106369065
N-[(5-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)cyclobutan-1-amine
CID 63452021
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106393066
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 106393670
3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632516
3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62991827
3-(2-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79003721
1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
CID 103649301
3-(2-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80680673
3-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396530

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine (CID 114183034) is 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine is Clc1ccccc1C1CC(NCc2ncon2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is ZNKJWZMEFFEDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-4-2-1-3-11(12)9-5-10(6-9)15-7-13-16-8-18-17-13/h1-4,8-10,15H,5-7H2.
What are the key properties of 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 263.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 114183034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).