N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide

C23H20Cl2F3N3O2 — CID 57489526

IUPACN-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide
SMILESO=C(NC1CC1)N1CC(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1
InChIInChI=1S/C23H20Cl2F3N3O2/c24-17-7-16(8-18(25)9-17)22(23(26,27)28)10-20(30-33-22)14-3-1-13(2-4-14)15-11-31(12-15)21(32)29-19-5-6-19/h1-4,7-9,15,19H,5-6,10-12H2,(H,29,32)
InChIKeyLLQZHPBFAIVQFF-UHFFFAOYSA-N
MW498.33 g/mol
LogP5.85
Rot. Bonds4

About N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide

N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide (PubChem CID 57489526) has the molecular formula C23H20Cl2F3N3O2 and a molecular weight of 498.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide
PubChem CID57489526
Molecular FormulaC23H20Cl2F3N3O2
Molecular Weight498.33 g/mol
Exact Mass497.09
IUPAC NameN-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide
SMILESO=C(NC1CC1)N1CC(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1
InChIInChI=1S/C23H20Cl2F3N3O2/c24-17-7-16(8-18(25)9-17)22(23(26,27)28)10-20(30-33-22)14-3-1-13(2-4-14)15-11-31(12-15)21(32)29-19-5-6-19/h1-4,7-9,15,19H,5-6,10-12H2,(H,29,32)
InChIKeyLLQZHPBFAIVQFF-UHFFFAOYSA-N
XLogP5.85
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.33
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide (CID 57489526) is N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide is O=C(NC1CC1)N1CC(c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1.
What is the InChIKey of N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide?
The InChIKey is LLQZHPBFAIVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F3N3O2/c24-17-7-16(8-18(25)9-17)22(23(26,27)28)10-20(30-33-22)14-3-1-13(2-4-14)15-11-31(12-15)21(32)29-19-5-6-19/h1-4,7-9,15,19H,5-6,10-12H2,(H,29,32).
What are the key properties of N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide?
N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide has a molecular weight of 498.33 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 57489526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).