N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C25H29N3O3 — CID 60533854

IUPACN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1c(-c2ccccc2)noc1C)N1CCCCC1
InChIInChI=1S/C25H29N3O3/c1-18-23(24(27-31-18)19-11-5-3-6-12-19)25(29)26-17-21(28-15-9-4-10-16-28)20-13-7-8-14-22(20)30-2/h3,5-8,11-14,21H,4,9-10,15-17H2,1-2H3,(H,26,29)
InChIKeyPTCZJVPVDWAANN-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.62
Rot. Bonds7

About N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 60533854) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID60533854
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1c(-c2ccccc2)noc1C)N1CCCCC1
InChIInChI=1S/C25H29N3O3/c1-18-23(24(27-31-18)19-11-5-3-6-12-19)25(29)26-17-21(28-15-9-4-10-16-28)20-13-7-8-14-22(20)30-2/h3,5-8,11-14,21H,4,9-10,15-17H2,1-2H3,(H,26,29)
InChIKeyPTCZJVPVDWAANN-UHFFFAOYSA-N
XLogP4.62
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18080011
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167854067
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 78791262
5-(4-bromophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 42272204
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
1-benzyl-5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyrazole-4-carboxamide
CID 43006258

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 60533854) is N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccccc1C(CNC(=O)c1c(-c2ccccc2)noc1C)N1CCCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is PTCZJVPVDWAANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18-23(24(27-31-18)19-11-5-3-6-12-19)25(29)26-17-21(28-15-9-4-10-16-28)20-13-7-8-14-22(20)30-2/h3,5-8,11-14,21H,4,9-10,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60533854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).