2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide

C26H31N3O3 — CID 24719794

IUPAC2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1OC
InChIInChI=1S/C26H31N3O3/c1-3-16-29(25(30)21-14-8-9-15-23(21)31-2)19-22-24(20-12-6-4-7-13-20)27-32-26(22)28-17-10-5-11-18-28/h4,6-9,12-15H,3,5,10-11,16-19H2,1-2H3
InChIKeyMLTTUVPMOFCHNO-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.39
Rot. Bonds8

About 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide

2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide (PubChem CID 24719794) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
PubChem CID24719794
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1OC
InChIInChI=1S/C26H31N3O3/c1-3-16-29(25(30)21-14-8-9-15-23(21)31-2)19-22-24(20-12-6-4-7-13-20)27-32-26(22)28-17-10-5-11-18-28/h4,6-9,12-15H,3,5,10-11,16-19H2,1-2H3
InChIKeyMLTTUVPMOFCHNO-UHFFFAOYSA-N
XLogP5.39
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133
2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 42843727
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719362
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719374
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 24719750
4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 46152821
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027790
N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027793
N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 46027834
N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028205
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 46023511
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
The IUPAC name of 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide (CID 24719794) is 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide is CCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
The InChIKey is MLTTUVPMOFCHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-3-16-29(25(30)21-14-8-9-15-23(21)31-2)19-22-24(20-12-6-4-7-13-20)27-32-26(22)28-17-10-5-11-18-28/h4,6-9,12-15H,3,5,10-11,16-19H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide?
2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide has a molecular weight of 433.55 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 24719794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).