(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone

C17H22N2O2 — CID 91945972

IUPAC(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H22N2O2/c1-13-8-6-7-11-19(13)16(20)17(2)12-15(18-21-17)14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11-12H2,1-2H3
InChIKeyXOTUFHXKFASVGB-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.97
Rot. Bonds2

About (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone

(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 91945972) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID91945972
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H22N2O2/c1-13-8-6-7-11-19(13)16(20)17(2)12-15(18-21-17)14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11-12H2,1-2H3
InChIKeyXOTUFHXKFASVGB-UHFFFAOYSA-N
XLogP2.97
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 91946054
(2-methylpiperidin-1-yl)-(5-methyl-3-thiophen-2-yl-4H-1,2-oxazol-5-yl)methanone
CID 102551898
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(4-benzylpiperidin-1-yl)-[4-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methanone
CID 11691660
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methanone
CID 91947132
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
[(5S)-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97465759
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 91948768

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone (CID 91945972) is (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C1(C)CC(c2ccccc2)=NO1.
What is the InChIKey of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is XOTUFHXKFASVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-8-6-7-11-19(13)16(20)17(2)12-15(18-21-17)14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11-12H2,1-2H3.
What are the key properties of (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 286.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91945972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).