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

C15H18ClN3O — CID 61354336

IUPAC1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(-c3cccc(Cl)c3)n2)CCCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-7-5-6-11(10-12)13-18-14(19-20-13)15(17)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,17H2
InChIKeyDHGSZGMMJMEGOJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.90
Rot. Bonds2

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

1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (PubChem CID 61354336) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
PubChem CID61354336
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
SMILESNC1(c2noc(-c3cccc(Cl)c3)n2)CCCCCC1
InChIInChI=1S/C15H18ClN3O/c16-12-7-5-6-11(10-12)13-18-14(19-20-13)15(17)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,17H2
InChIKeyDHGSZGMMJMEGOJ-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-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352509
1-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 107940671
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61353726
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-[3-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850426
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859522
1-[5-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120857385
1-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853991
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine (CID 61354336) is 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is NC1(c2noc(-c3cccc(Cl)c3)n2)CCCCCC1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
The InChIKey is DHGSZGMMJMEGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-7-5-6-11(10-12)13-18-14(19-20-13)15(17)8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,17H2.
What are the key properties of 1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine?
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-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-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine is sourced from PubChem (CID 61354336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).