N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide

C24H23N3O3 — CID 10173001

IUPACN-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CC=CCC3)co2)cc1
InChIInChI=1S/C24H23N3O3/c28-22(15-18-7-3-1-4-8-18)25-16-19-9-11-20(12-10-19)23-26-21(17-30-23)24(29)27-13-5-2-6-14-27/h1-5,7-12,17H,6,13-16H2,(H,25,28)
InChIKeyRMUZVTOIYMOXNI-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.60
Rot. Bonds6

About N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide

N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (PubChem CID 10173001) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
PubChem CID10173001
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CC=CCC3)co2)cc1
InChIInChI=1S/C24H23N3O3/c28-22(15-18-7-3-1-4-8-18)25-16-19-9-11-20(12-10-19)23-26-21(17-30-23)24(29)27-13-5-2-6-14-27/h1-5,7-12,17H,6,13-16H2,(H,25,28)
InChIKeyRMUZVTOIYMOXNI-UHFFFAOYSA-N
XLogP3.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diphenyloxazole
CID 168750
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
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
(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
2-(4-chlorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10151335

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide (CID 10173001) is N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CC=CCC3)co2)cc1.
What is the InChIKey of N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is RMUZVTOIYMOXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-22(15-18-7-3-1-4-8-18)25-16-19-9-11-20(12-10-19)23-26-21(17-30-23)24(29)27-13-5-2-6-14-27/h1-5,7-12,17H,6,13-16H2,(H,25,28).
What are the key properties of N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide?
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 401.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 10173001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).