N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine

C21H22ClN3O — CID 22432864

IUPACN-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
SMILESClc1cccc(C(NC2CCCCC2)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H22ClN3O/c22-17-11-7-10-16(14-17)19(23-18-12-5-2-6-13-18)21-25-24-20(26-21)15-8-3-1-4-9-15/h1,3-4,7-11,14,18-19,23H,2,5-6,12-13H2
InChIKeyLQZOJQORMQBLTM-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.40
Rot. Bonds5

About N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine

N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine (PubChem CID 22432864) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
PubChem CID22432864
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
SMILESClc1cccc(C(NC2CCCCC2)c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C21H22ClN3O/c22-17-11-7-10-16(14-17)19(23-18-12-5-2-6-13-18)21-25-24-20(26-21)15-8-3-1-4-9-15/h1,3-4,7-11,14,18-19,23H,2,5-6,12-13H2
InChIKeyLQZOJQORMQBLTM-UHFFFAOYSA-N
XLogP5.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine
CID 92700628
N-[(S)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cycloheptanamine
CID 92707782
4-chloro-N-[(R)-(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700621
N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine;hydrochloride
CID 146051666
3-chloro-N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxyaniline
CID 22432841
3-chloro-N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 22433067
1-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-cyclohexylurea
CID 41143362
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 9382630
(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(S)-(4-methylphenyl)-phenylmethyl]ethanamine
CID 8641751
3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 92656819
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
CID 146752027
(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(S)-furan-2-yl(phenyl)methyl]ethanamine
CID 8756618

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine (CID 22432864) is N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine is Clc1cccc(C(NC2CCCCC2)c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
The InChIKey is LQZOJQORMQBLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-17-11-7-10-16(14-17)19(23-18-12-5-2-6-13-18)21-25-24-20(26-21)15-8-3-1-4-9-15/h1,3-4,7-11,14,18-19,23H,2,5-6,12-13H2.
What are the key properties of N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine?
N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine has a molecular weight of 367.88 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 22432864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).