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

C22H20F3N5O3 — CID 118334701

IUPACN-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCC1CN(c2cc(C(=O)Nc3cccc(NC(=O)c4ccno4)c3)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C22H20F3N5O3/c1-13-11-30(12-26-13)18-8-14(7-15(9-18)22(23,24)25)20(31)28-16-3-2-4-17(10-16)29-21(32)19-5-6-27-33-19/h2-10,13,26H,11-12H2,1H3,(H,28,31)(H,29,32)
InChIKeyQFLSFXLROVWJJA-UHFFFAOYSA-N
MW459.43 g/mol
LogP3.95
Rot. Bonds5

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

N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 118334701) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID118334701
Molecular FormulaC22H20F3N5O3
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC NameN-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCC1CN(c2cc(C(=O)Nc3cccc(NC(=O)c4ccno4)c3)cc(C(F)(F)F)c2)CN1
InChIInChI=1S/C22H20F3N5O3/c1-13-11-30(12-26-13)18-8-14(7-15(9-18)22(23,24)25)20(31)28-16-3-2-4-17(10-16)29-21(32)19-5-6-27-33-19/h2-10,13,26H,11-12H2,1H3,(H,28,31)(H,29,32)
InChIKeyQFLSFXLROVWJJA-UHFFFAOYSA-N
XLogP3.95
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide (CID 118334701) is N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide is CC1CN(c2cc(C(=O)Nc3cccc(NC(=O)c4ccno4)c3)cc(C(F)(F)F)c2)CN1.
What is the InChIKey of N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QFLSFXLROVWJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c1-13-11-30(12-26-13)18-8-14(7-15(9-18)22(23,24)25)20(31)28-16-3-2-4-17(10-16)29-21(32)19-5-6-27-33-19/h2-10,13,26H,11-12H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide?
N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 459.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-methylimidazolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 118334701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).