5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide

C27H20ClFN2O3 — CID 17092477

IUPAC5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)c3)oc2cc1C
InChIInChI=1S/C27H20ClFN2O3/c1-14-4-5-18(27-31-22-10-15(2)16(3)11-25(22)34-27)13-21(14)30-26(32)24-9-8-23(33-24)17-6-7-20(29)19(28)12-17/h4-13H,1-3H3,(H,30,32)
InChIKeyUCOUVSSPMXDLPU-UHFFFAOYSA-N
MW474.92 g/mol
LogP7.72
Rot. Bonds4

About 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide

5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 17092477) has the molecular formula C27H20ClFN2O3 and a molecular weight of 474.92 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide
PubChem CID17092477
Molecular FormulaC27H20ClFN2O3
Molecular Weight474.92 g/mol
Exact Mass474.11
IUPAC Name5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)c3)oc2cc1C
InChIInChI=1S/C27H20ClFN2O3/c1-14-4-5-18(27-31-22-10-15(2)16(3)11-25(22)34-27)13-21(14)30-26(32)24-9-8-23(33-24)17-6-7-20(29)19(28)12-17/h4-13H,1-3H3,(H,30,32)
InChIKeyUCOUVSSPMXDLPU-UHFFFAOYSA-N
XLogP7.72
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.92
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 17092473
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,4-dimethylbenzamide
CID 17092390
5-(4-bromophenyl)-N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17116974
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 1366787
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 91683703
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
5-(3,4-dichlorophenyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 17315297
N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
CID 1209262
5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2173612
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 43914414
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185179

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide (CID 17092477) is 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide is Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)c3)oc2cc1C.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is UCOUVSSPMXDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClFN2O3/c1-14-4-5-18(27-31-22-10-15(2)16(3)11-25(22)34-27)13-21(14)30-26(32)24-9-8-23(33-24)17-6-7-20(29)19(28)12-17/h4-13H,1-3H3,(H,30,32).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 474.92 g/mol, XLogP of 7.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 17092477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).