5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide

C25H28FN3O5 — CID 23761441

IUPAC5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCCN(Cc1cc(C(=O)NCc2ccc(F)cc2)no1)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28FN3O5/c1-4-5-12-29(25(31)18-8-11-22(32-2)23(13-18)33-3)16-20-14-21(28-34-20)24(30)27-15-17-6-9-19(26)10-7-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,27,30)
InChIKeyMKODLSQDFTVAFF-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.20
Rot. Bonds11

About 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23761441) has the molecular formula C25H28FN3O5 and a molecular weight of 469.51 g/mol. Its IUPAC name is 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID23761441
Molecular FormulaC25H28FN3O5
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCCN(Cc1cc(C(=O)NCc2ccc(F)cc2)no1)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28FN3O5/c1-4-5-12-29(25(31)18-8-11-22(32-2)23(13-18)33-3)16-20-14-21(28-34-20)24(30)27-15-17-6-9-19(26)10-7-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,27,30)
InChIKeyMKODLSQDFTVAFF-UHFFFAOYSA-N
XLogP4.20
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23760815
N-[(4-fluorophenyl)methyl]-5-[[(3-methoxybenzoyl)-[2-(4-methoxyphenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818982
5-[[1,3-benzodioxole-5-carbonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23820515
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23876360
5-[[1,3-benzodioxole-5-carbonyl(2-phenylethyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23885444
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methoxyphenyl)ethyl-(3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23989425
N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide
CID 55773772
5-[[1,3-benzodioxole-5-carbonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 45274081
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23761441) is 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide is CCCCN(Cc1cc(C(=O)NCc2ccc(F)cc2)no1)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MKODLSQDFTVAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O5/c1-4-5-12-29(25(31)18-8-11-22(32-2)23(13-18)33-3)16-20-14-21(28-34-20)24(30)27-15-17-6-9-19(26)10-7-17/h6-11,13-14H,4-5,12,15-16H2,1-3H3,(H,27,30).
What are the key properties of 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 4.20, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23761441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).