(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

C17H22N4O2 — CID 167972128

IUPAC(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCCN2C(=O)c2cc(C3CCC3)no2)cn1
InChIInChI=1S/C17H22N4O2/c1-20-11-13(10-18-20)15-7-2-3-8-21(15)17(22)16-9-14(19-23-16)12-5-4-6-12/h9-12,15H,2-8H2,1H3
InChIKeySUEWGJKHUUCBNV-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.04
Rot. Bonds3

About (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 167972128) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID167972128
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCCN2C(=O)c2cc(C3CCC3)no2)cn1
InChIInChI=1S/C17H22N4O2/c1-20-11-13(10-18-20)15-7-2-3-8-21(15)17(22)16-9-14(19-23-16)12-5-4-6-12/h9-12,15H,2-8H2,1H3
InChIKeySUEWGJKHUUCBNV-UHFFFAOYSA-N
XLogP3.04
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 51587969
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736234
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167793105
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99816463
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 146103274
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 167972128) is (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is Cn1cc(C2CCCCN2C(=O)c2cc(C3CCC3)no2)cn1.
What is the InChIKey of (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is SUEWGJKHUUCBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-11-13(10-18-20)15-7-2-3-8-21(15)17(22)16-9-14(19-23-16)12-5-4-6-12/h9-12,15H,2-8H2,1H3.
What are the key properties of (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167972128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).