5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide

C22H23N3O2 — CID 26289707

IUPAC5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-20(24-22(27-16)17-8-4-2-5-9-17)21(26)23-18-10-12-19(13-11-18)25-14-6-3-7-15-25/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,23,26)
InChIKeyGDHMECTVJMLLSG-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.89
Rot. Bonds4

About 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide

5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 26289707) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID26289707
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-20(24-22(27-16)17-8-4-2-5-9-17)21(26)23-18-10-12-19(13-11-18)25-14-6-3-7-15-25/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,23,26)
InChIKeyGDHMECTVJMLLSG-UHFFFAOYSA-N
XLogP4.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 38139634
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 10230470
5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
CID 55817626
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 24525445
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 110689293
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
6-[4-[4-[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]phenyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 46832326

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide (CID 26289707) is 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GDHMECTVJMLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-20(24-22(27-16)17-8-4-2-5-9-17)21(26)23-18-10-12-19(13-11-18)25-14-6-3-7-15-25/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,23,26).
What are the key properties of 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 26289707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).