4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide

C22H18F3N3O4S — CID 46535675

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C22H18F3N3O4S/c23-22(24,25)32-15-9-7-14(8-10-15)12-16-13-26-20(33-16)27-19(29)6-3-11-28-17-4-1-2-5-18(17)31-21(28)30/h1-2,4-5,7-10,13H,3,6,11-12H2,(H,26,27,29)
InChIKeyWXENXCDYXUAWSU-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.96
Rot. Bonds8

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 46535675) has the molecular formula C22H18F3N3O4S and a molecular weight of 477.46 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID46535675
Molecular FormulaC22H18F3N3O4S
Molecular Weight477.46 g/mol
Exact Mass477.10
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C22H18F3N3O4S/c23-22(24,25)32-15-9-7-14(8-10-15)12-16-13-26-20(33-16)27-19(29)6-3-11-28-17-4-1-2-5-18(17)31-21(28)30/h1-2,4-5,7-10,13H,3,6,11-12H2,(H,26,27,29)
InChIKeyWXENXCDYXUAWSU-UHFFFAOYSA-N
XLogP4.96
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 24573134
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30685327
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561505
2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 46535725
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenoxyphenyl)butanamide
CID 7741918
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 17034994
2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 43047806
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081150
4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 27899380
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275
methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide (CID 46535675) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide is O=C(CCCn1c(=O)oc2ccccc21)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is WXENXCDYXUAWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O4S/c23-22(24,25)32-15-9-7-14(8-10-15)12-16-13-26-20(33-16)27-19(29)6-3-11-28-17-4-1-2-5-18(17)31-21(28)30/h1-2,4-5,7-10,13H,3,6,11-12H2,(H,26,27,29).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 477.46 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 46535675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).