4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

C19H26N4O3 — CID 53146833

IUPAC4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCc1c(C2CCN(C(=O)NCc3cccc(OC)c3)CC2)noc1N
InChIInChI=1S/C19H26N4O3/c1-3-16-17(22-26-18(16)20)14-7-9-23(10-8-14)19(24)21-12-13-5-4-6-15(11-13)25-2/h4-6,11,14H,3,7-10,12,20H2,1-2H3,(H,21,24)
InChIKeyUHUQZIAGKFPQIE-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.92
Rot. Bonds5

About 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 53146833) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID53146833
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCCc1c(C2CCN(C(=O)NCc3cccc(OC)c3)CC2)noc1N
InChIInChI=1S/C19H26N4O3/c1-3-16-17(22-26-18(16)20)14-7-9-23(10-8-14)19(24)21-12-13-5-4-6-15(11-13)25-2/h4-6,11,14H,3,7-10,12,20H2,1-2H3,(H,21,24)
InChIKeyUHUQZIAGKFPQIE-UHFFFAOYSA-N
XLogP2.92
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-1,2-oxazol-3-yl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53146638
4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 134042470
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 146122949
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973471
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
2-[4,6-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 125007909
1-[(3-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61208248

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 53146833) is 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is CCc1c(C2CCN(C(=O)NCc3cccc(OC)c3)CC2)noc1N.
What is the InChIKey of 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is UHUQZIAGKFPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-16-17(22-26-18(16)20)14-7-9-23(10-8-14)19(24)21-12-13-5-4-6-15(11-13)25-2/h4-6,11,14H,3,7-10,12,20H2,1-2H3,(H,21,24).
What are the key properties of 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 53146833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).