1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

C15H18ClN3O — CID 61291995

IUPAC1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESNC1(c2nc(-c3ccc(Cl)cc3)no2)CCCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-7-5-11(6-8-12)13-18-14(20-19-13)15(17)9-3-1-2-4-10-15/h5-8H,1-4,9-10,17H2
InChIKeyPGJZJACNFQRLBD-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.90
Rot. Bonds2

About 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (PubChem CID 61291995) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
PubChem CID61291995
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESNC1(c2nc(-c3ccc(Cl)cc3)no2)CCCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-7-5-11(6-8-12)13-18-14(20-19-13)15(17)9-3-1-2-4-10-15/h5-8H,1-4,9-10,17H2
InChIKeyPGJZJACNFQRLBD-UHFFFAOYSA-N
XLogP3.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289520
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61291082
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289707
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291619
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671445
1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947729
1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61292346
1-[5-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863346
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716117
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (CID 61291995) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is NC1(c2nc(-c3ccc(Cl)cc3)no2)CCCCCC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The InChIKey is PGJZJACNFQRLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-7-5-11(6-8-12)13-18-14(20-19-13)15(17)9-3-1-2-4-10-15/h5-8H,1-4,9-10,17H2.
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is sourced from PubChem (CID 61291995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).