1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide

C19H23N3O3 — CID 110666323

IUPAC1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2nc(-c3ccccc3)c(C)o2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-18(15-6-4-3-5-7-15)21-17(25-13)12-20-19(24)16-8-10-22(11-9-16)14(2)23/h3-7,16H,8-12H2,1-2H3,(H,20,24)
InChIKeyROIXNKLAXHMQEL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.52
Rot. Bonds4

About 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide

1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 110666323) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID110666323
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2nc(-c3ccccc3)c(C)o2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-18(15-6-4-3-5-7-15)21-17(25-13)12-20-19(24)16-8-10-22(11-9-16)14(2)23/h3-7,16H,8-12H2,1-2H3,(H,20,24)
InChIKeyROIXNKLAXHMQEL-UHFFFAOYSA-N
XLogP2.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]carbamate
CID 110666364
1-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylurea
CID 110666422
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
CID 122261947
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
N-(furan-2-ylmethyl)-1-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 74232670
1-acetyl-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86263734
2-(4-methylphenoxy)-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110666359
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602031
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110666367

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide (CID 110666323) is 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2nc(-c3ccccc3)c(C)o2)CC1.
What is the InChIKey of 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ROIXNKLAXHMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-18(15-6-4-3-5-7-15)21-17(25-13)12-20-19(24)16-8-10-22(11-9-16)14(2)23/h3-7,16H,8-12H2,1-2H3,(H,20,24).
What are the key properties of 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide?
1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110666323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).