N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide

C23H24FN5O3 — CID 118336901

IUPACN-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CF)cc(N3CNC(C)C3)c2)cc1NC(=O)c1ccno1
InChIInChI=1S/C23H24FN5O3/c1-14-3-4-18(10-20(14)28-23(31)21-5-6-26-32-21)27-22(30)17-7-16(11-24)8-19(9-17)29-12-15(2)25-13-29/h3-10,15,25H,11-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFAFJGGKCNFXRCX-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.71
Rot. Bonds6

About N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide

N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide (PubChem CID 118336901) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
PubChem CID118336901
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CF)cc(N3CNC(C)C3)c2)cc1NC(=O)c1ccno1
InChIInChI=1S/C23H24FN5O3/c1-14-3-4-18(10-20(14)28-23(31)21-5-6-26-32-21)27-22(30)17-7-16(11-24)8-19(9-17)29-12-15(2)25-13-29/h3-10,15,25H,11-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyFAFJGGKCNFXRCX-UHFFFAOYSA-N
XLogP3.71
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide (CID 118336901) is N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(CF)cc(N3CNC(C)C3)c2)cc1NC(=O)c1ccno1.
What is the InChIKey of N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FAFJGGKCNFXRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14-3-4-18(10-20(14)28-23(31)21-5-6-26-32-21)27-22(30)17-7-16(11-24)8-19(9-17)29-12-15(2)25-13-29/h3-10,15,25H,11-13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide?
N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(fluoromethyl)-5-(4-methylimidazolidin-1-yl)benzoyl]amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118336901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).