[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone

C22H25N5O2 — CID 50780510

IUPAC[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C22H25N5O2/c1-15-19(22(28)26-12-3-2-4-13-26)14-27(24-15)18-10-8-16(9-11-18)20-23-21(29-25-20)17-6-5-7-17/h8-11,14,17H,2-7,12-13H2,1H3
InChIKeyKBLQXQQAFBWBET-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.12
Rot. Bonds4

About [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone

[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 50780510) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
PubChem CID50780510
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C22H25N5O2/c1-15-19(22(28)26-12-3-2-4-13-26)14-27(24-15)18-10-8-16(9-11-18)20-23-21(29-25-20)17-6-5-7-17/h8-11,14,17H,2-7,12-13H2,1H3
InChIKeyKBLQXQQAFBWBET-UHFFFAOYSA-N
XLogP4.12
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50780802
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 50780675
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780823
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780674
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780609
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780655
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 68933445
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457

Frequently Asked Questions

What is the IUPAC name of [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone (CID 50780510) is [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone is Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is KBLQXQQAFBWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-19(22(28)26-12-3-2-4-13-26)14-27(24-15)18-10-8-16(9-11-18)20-23-21(29-25-20)17-6-5-7-17/h8-11,14,17H,2-7,12-13H2,1H3.
What are the key properties of [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone?
[1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 391.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50780510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).