5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide

C23H24FN3O3 — CID 23963752

IUPAC5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)N(Cc1cc(C(=O)NCc2ccc(F)cc2)no1)C(=O)c1ccccc1
InChIInChI=1S/C23H24FN3O3/c1-3-16(2)27(23(29)18-7-5-4-6-8-18)15-20-13-21(26-30-20)22(28)25-14-17-9-11-19(24)12-10-17/h4-13,16H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyNYLUZVRCSAYHGD-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.18
Rot. Bonds8

About 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23963752) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID23963752
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)N(Cc1cc(C(=O)NCc2ccc(F)cc2)no1)C(=O)c1ccccc1
InChIInChI=1S/C23H24FN3O3/c1-3-16(2)27(23(29)18-7-5-4-6-8-18)15-20-13-21(26-30-20)22(28)25-14-17-9-11-19(24)12-10-17/h4-13,16H,3,14-15H2,1-2H3,(H,25,28)
InChIKeyNYLUZVRCSAYHGD-UHFFFAOYSA-N
XLogP4.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23796256
5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23936297
5-[[benzyl(methyl)amino]methyl]-N-butan-2-yl-N-ethyl-1,2-oxazole-3-carboxamide
CID 56745106
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(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
5-[[butyl-(3,4-dimethoxybenzoyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23761441
5-[[1,3-benzodioxole-5-carbonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23820515
N-ethyl-5-[[pentan-3-yl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818720
5-[[benzoyl(pyridin-4-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23798416
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437

Frequently Asked Questions

What is the IUPAC name of 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23963752) is 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide is CCC(C)N(Cc1cc(C(=O)NCc2ccc(F)cc2)no1)C(=O)c1ccccc1.
What is the InChIKey of 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NYLUZVRCSAYHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-3-16(2)27(23(29)18-7-5-4-6-8-18)15-20-13-21(26-30-20)22(28)25-14-17-9-11-19(24)12-10-17/h4-13,16H,3,14-15H2,1-2H3,(H,25,28).
What are the key properties of 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23963752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).