N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide

C23H22F3N5O3 — CID 118334700

IUPACN-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CNC(C)C3)cc(C(F)(F)F)c2)cc1NC(=O)c1ccno1
InChIInChI=1S/C23H22F3N5O3/c1-13-3-4-17(10-19(13)30-22(33)20-5-6-28-34-20)29-21(32)15-7-16(23(24,25)26)9-18(8-15)31-11-14(2)27-12-31/h3-10,14,27H,11-12H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQOOGSGFGBVRFRJ-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.26
Rot. Bonds5

About N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide

N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 118334700) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID118334700
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC NameN-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N3CNC(C)C3)cc(C(F)(F)F)c2)cc1NC(=O)c1ccno1
InChIInChI=1S/C23H22F3N5O3/c1-13-3-4-17(10-19(13)30-22(33)20-5-6-28-34-20)29-21(32)15-7-16(23(24,25)26)9-18(8-15)31-11-14(2)27-12-31/h3-10,14,27H,11-12H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQOOGSGFGBVRFRJ-UHFFFAOYSA-N
XLogP4.26
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-formamido-4-methylphenyl)-3-pyrrolidin-1-yl-5-(trifluoromethyl)benzamide
CID 130182759
N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 174382009
N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 25118033
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 16745811
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
N-[3-methyl-4-[2-(5-methyl-1,2-oxazol-4-yl)-2-oxoethyl]phenyl]-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 159557536
N-[4-methyl-3-(3-pyrimidin-5-ylprop-2-enoylamino)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 75282030
N-[4-methyl-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 88558688
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 44583657
N-[5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-4-(methylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 25119102
N-(3-formyl-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 86660458
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide (CID 118334700) is N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(N3CNC(C)C3)cc(C(F)(F)F)c2)cc1NC(=O)c1ccno1.
What is the InChIKey of N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QOOGSGFGBVRFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-13-3-4-17(10-19(13)30-22(33)20-5-6-28-34-20)29-21(32)15-7-16(23(24,25)26)9-18(8-15)31-11-14(2)27-12-31/h3-10,14,27H,11-12H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118334700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).