N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

C24H14F3N3O4 — CID 1227063

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C24H14F3N3O4/c25-24(26,27)34-17-6-3-14(4-7-17)19-9-10-21(32-19)22(31)29-16-5-8-20-18(12-16)30-23(33-20)15-2-1-11-28-13-15/h1-13H,(H,29,31)
InChIKeyJUSRMHCLVCCOMC-UHFFFAOYSA-N
MW465.39 g/mol
LogP6.30
Rot. Bonds5

About N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 1227063) has the molecular formula C24H14F3N3O4 and a molecular weight of 465.39 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID1227063
Molecular FormulaC24H14F3N3O4
Molecular Weight465.39 g/mol
Exact Mass465.09
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C24H14F3N3O4/c25-24(26,27)34-17-6-3-14(4-7-17)19-9-10-21(32-19)22(31)29-16-5-8-20-18(12-16)30-23(33-20)15-2-1-11-28-13-15/h1-13H,(H,29,31)
InChIKeyJUSRMHCLVCCOMC-UHFFFAOYSA-N
XLogP6.30
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dichlorophenyl)-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 3810795
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650
5-(3,4-dimethylphenyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 5026947
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 130386733
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308147
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 1227063) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is JUSRMHCLVCCOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3O4/c25-24(26,27)34-17-6-3-14(4-7-17)19-9-10-21(32-19)22(31)29-16-5-8-20-18(12-16)30-23(33-20)15-2-1-11-28-13-15/h1-13H,(H,29,31).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 465.39 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1227063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).