[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone

C23H22N2O3 — CID 45209504

IUPAC[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3ccc(-c4ccccc4)cc3)C2)no1
InChIInChI=1S/C23H22N2O3/c1-16-14-21(24-28-16)23(27)25-13-5-8-20(15-25)22(26)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3
InChIKeyJYWLLMNEBNQQBM-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.39
Rot. Bonds4

About [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone

[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone (PubChem CID 45209504) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
PubChem CID45209504
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3ccc(-c4ccccc4)cc3)C2)no1
InChIInChI=1S/C23H22N2O3/c1-16-14-21(24-28-16)23(27)25-13-5-8-20(15-25)22(26)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3
InChIKeyJYWLLMNEBNQQBM-UHFFFAOYSA-N
XLogP4.39
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 25488367
(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42189380
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 26334195
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 108559387
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42507853

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone (CID 45209504) is [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone is Cc1cc(C(=O)N2CCCC(C(=O)c3ccc(-c4ccccc4)cc3)C2)no1.
What is the InChIKey of [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
The InChIKey is JYWLLMNEBNQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-14-21(24-28-16)23(27)25-13-5-8-20(15-25)22(26)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,20H,5,8,13,15H2,1H3.
What are the key properties of [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone has a molecular weight of 374.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 45209504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).