N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide

C25H21F3N2O4 — CID 69074322

IUPACN-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide
SMILESCc1ccc2oc(-c3cc(NC(=O)c4ccccc4OC(F)(F)F)ccc3OC(C)C)nc2c1
InChIInChI=1S/C25H21F3N2O4/c1-14(2)32-20-11-9-16(13-18(20)24-30-19-12-15(3)8-10-22(19)33-24)29-23(31)17-6-4-5-7-21(17)34-25(26,27)28/h4-14H,1-3H3,(H,29,31)
InChIKeyKJKIURIMRIGOBF-UHFFFAOYSA-N
MW470.45 g/mol
LogP6.74
Rot. Bonds6

About N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide

N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide (PubChem CID 69074322) has the molecular formula C25H21F3N2O4 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide
PubChem CID69074322
Molecular FormulaC25H21F3N2O4
Molecular Weight470.45 g/mol
Exact Mass470.15
IUPAC NameN-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide
SMILESCc1ccc2oc(-c3cc(NC(=O)c4ccccc4OC(F)(F)F)ccc3OC(C)C)nc2c1
InChIInChI=1S/C25H21F3N2O4/c1-14(2)32-20-11-9-16(13-18(20)24-30-19-12-15(3)8-10-22(19)33-24)29-23(31)17-6-4-5-7-21(17)34-25(26,27)28/h4-14H,1-3H3,(H,29,31)
InChIKeyKJKIURIMRIGOBF-UHFFFAOYSA-N
XLogP6.74
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethyl)benzamide
CID 69075322
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
2-fluoro-N-[4-hydroxy-3-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 135477395
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 17101713
N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 136794414
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxy-5-methylphenyl]-2-methoxybenzamide
CID 135645647

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide (CID 69074322) is N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide is Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4OC(F)(F)F)ccc3OC(C)C)nc2c1.
What is the InChIKey of N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is KJKIURIMRIGOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O4/c1-14(2)32-20-11-9-16(13-18(20)24-30-19-12-15(3)8-10-22(19)33-24)29-23(31)17-6-4-5-7-21(17)34-25(26,27)28/h4-14H,1-3H3,(H,29,31).
What are the key properties of N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide?
N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 470.45 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,3-benzoxazol-2-yl)-4-propan-2-yloxyphenyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 69074322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).