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

C15H14ClN5O — CID 120861310

IUPAC1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)CCC1
InChIInChI=1S/C15H14ClN5O/c16-11-2-4-12(5-3-11)21-9-10(8-18-21)13-19-14(20-22-13)15(17)6-1-7-15/h2-5,8-9H,1,6-7,17H2
InChIKeyCCKFEXVDWWOXEZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.91
Rot. Bonds3

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

1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861310) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861310
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)CCC1
InChIInChI=1S/C15H14ClN5O/c16-11-2-4-12(5-3-11)21-9-10(8-18-21)13-19-14(20-22-13)15(17)6-1-7-15/h2-5,8-9H,1,6-7,17H2
InChIKeyCCKFEXVDWWOXEZ-UHFFFAOYSA-N
XLogP2.91
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862087
1-[5-[1-(3-bromophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862287
1-[5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852450
1-[5-(1-pyridin-3-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855607
1-[5-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850699
1-[5-(1-tert-butylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854261
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861080
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351934
1-[5-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859105
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120861310) is 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(-c3cnn(-c4ccc(Cl)cc4)c3)n2)CCC1.
What is the InChIKey of 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is CCKFEXVDWWOXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-11-2-4-12(5-3-11)21-9-10(8-18-21)13-19-14(20-22-13)15(17)6-1-7-15/h2-5,8-9H,1,6-7,17H2.
What are the key properties of 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 315.76 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-chlorophenyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120861310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).