2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide

C25H27N3O3 — CID 10194571

IUPAC2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-18-5-7-19(8-6-18)15-23(29)26-16-20-9-11-21(12-10-20)24-27-22(17-31-24)25(30)28-13-3-2-4-14-28/h5-12,17H,2-4,13-16H2,1H3,(H,26,29)
InChIKeyZVQICDYKNHCRCG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.14
Rot. Bonds6

About 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide

2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide (PubChem CID 10194571) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
PubChem CID10194571
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-18-5-7-19(8-6-18)15-23(29)26-16-20-9-11-21(12-10-20)24-27-22(17-31-24)25(30)28-13-3-2-4-14-28/h5-12,17H,2-4,13-16H2,1H3,(H,26,29)
InChIKeyZVQICDYKNHCRCG-UHFFFAOYSA-N
XLogP4.14
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
2-Phenyl-4-oxazolecarboxamide
CID 604678
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
(3R,5S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233019
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3237063
(E)-7-{4-[4-(4-Cyclohexyl-butylcarbamoyl)-oxazol-2-yl]-phenyl}-7-pyridin-3-yl-hept-6-enoic acid
CID 9958626
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10151034

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide (CID 10194571) is 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide is Cc1ccc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
The InChIKey is ZVQICDYKNHCRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-5-7-19(8-6-18)15-23(29)26-16-20-9-11-21(12-10-20)24-27-22(17-31-24)25(30)28-13-3-2-4-14-28/h5-12,17H,2-4,13-16H2,1H3,(H,26,29).
What are the key properties of 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide?
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 10194571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).