N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide

C26H29N3O5 — CID 46027834

IUPACN-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H29N3O5/c1-31-15-14-29(25(30)20-10-11-22-23(16-20)33-18-32-22)17-21-24(19-8-4-2-5-9-19)27-34-26(21)28-12-6-3-7-13-28/h2,4-5,8-11,16H,3,6-7,12-15,17-18H2,1H3
InChIKeyWSKSLSCTEFNWPU-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.35
Rot. Bonds8

About N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 46027834) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID46027834
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H29N3O5/c1-31-15-14-29(25(30)20-10-11-22-23(16-20)33-18-32-22)17-21-24(19-8-4-2-5-9-19)27-34-26(21)28-12-6-3-7-13-28/h2,4-5,8-11,16H,3,6-7,12-15,17-18H2,1H3
InChIKeyWSKSLSCTEFNWPU-UHFFFAOYSA-N
XLogP4.35
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyethyl)-4-methyl-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028205
2-fluoro-N-(3-methoxypropyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 42843727
3-methoxy-N-(2-methoxyethyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153579
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 42843747
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779
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-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46014996
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719374
3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133
N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222363
N-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46027677
2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24719794

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 46027834) is N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide is COCCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WSKSLSCTEFNWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-31-15-14-29(25(30)20-10-11-22-23(16-20)33-18-32-22)17-21-24(19-8-4-2-5-9-19)27-34-26(21)28-12-6-3-7-13-28/h2,4-5,8-11,16H,3,6-7,12-15,17-18H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46027834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).