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

C26H30FN3O6 — CID 23760815

IUPACN-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cc(C(=O)NCc3ccc(F)cc3)no2)CC(C)C)cc(OC)c1OC
InChIInChI=1S/C26H30FN3O6/c1-16(2)14-30(26(32)18-10-22(33-3)24(35-5)23(11-18)34-4)15-20-12-21(29-36-20)25(31)28-13-17-6-8-19(27)9-7-17/h6-12,16H,13-15H2,1-5H3,(H,28,31)
InChIKeySNOHYQMXBABTGI-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.07
Rot. Bonds11

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

N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23760815) has the molecular formula C26H30FN3O6 and a molecular weight of 499.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23760815
Molecular FormulaC26H30FN3O6
Molecular Weight499.54 g/mol
Exact Mass499.21
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cc(C(=O)NCc3ccc(F)cc3)no2)CC(C)C)cc(OC)c1OC
InChIInChI=1S/C26H30FN3O6/c1-16(2)14-30(26(32)18-10-22(33-3)24(35-5)23(11-18)34-4)15-20-12-21(29-36-20)25(31)28-13-17-6-8-19(27)9-7-17/h6-12,16H,13-15H2,1-5H3,(H,28,31)
InChIKeySNOHYQMXBABTGI-UHFFFAOYSA-N
XLogP4.07
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23761441
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23876360
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methoxyphenyl)ethyl-(3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23989425
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
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23907301
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 20885287
N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23857003
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
5-[[1,3-benzodioxole-5-carbonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 45274081
5-[[1,3-benzodioxole-5-carbonyl(2-phenylethyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23885444

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23760815) is N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide is COc1cc(C(=O)N(Cc2cc(C(=O)NCc3ccc(F)cc3)no2)CC(C)C)cc(OC)c1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SNOHYQMXBABTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O6/c1-16(2)14-30(26(32)18-10-22(33-3)24(35-5)23(11-18)34-4)15-20-12-21(29-36-20)25(31)28-13-17-6-8-19(27)9-7-17/h6-12,16H,13-15H2,1-5H3,(H,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[[2-methylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23760815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).