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

C20H22N4O2 — CID 167793105

IUPAC(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCCC2c2cnn(C)c2)noc1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-14-18(22-26-19(14)15-8-4-3-5-9-15)20(25)24-11-7-6-10-17(24)16-12-21-23(2)13-16/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3
InChIKeyBOZHFRMJOWOKQT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.75
Rot. Bonds3

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

(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 167793105) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID167793105
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCCC2c2cnn(C)c2)noc1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-14-18(22-26-19(14)15-8-4-3-5-9-15)20(25)24-11-7-6-10-17(24)16-12-21-23(2)13-16/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3
InChIKeyBOZHFRMJOWOKQT-UHFFFAOYSA-N
XLogP3.75
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 51587969
(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167972128
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99816463
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(2R)-2-phenylpiperidin-1-yl]methanone
CID 51855317
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95336035
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 167793105) is (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCCC2c2cnn(C)c2)noc1-c1ccccc1.
What is the InChIKey of (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is BOZHFRMJOWOKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-18(22-26-19(14)15-8-4-3-5-9-15)20(25)24-11-7-6-10-17(24)16-12-21-23(2)13-16/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3.
What are the key properties of (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167793105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).