N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide

C16H10ClF3N2O2 — CID 9185179

IUPACN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O2/c1-8-2-3-9(6-11(8)22-15(23)16(18,19)20)14-21-12-7-10(17)4-5-13(12)24-14/h2-7H,1H3,(H,22,23)
InChIKeyFPVYLPFBWZFVAC-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.96
Rot. Bonds2

About N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide (PubChem CID 9185179) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
PubChem CID9185179
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC NameN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C16H10ClF3N2O2/c1-8-2-3-9(6-11(8)22-15(23)16(18,19)20)14-21-12-7-10(17)4-5-13(12)24-14/h2-7H,1H3,(H,22,23)
InChIKeyFPVYLPFBWZFVAC-UHFFFAOYSA-N
XLogP4.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide
CID 1363611
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 22782453
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334912
2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23766476
N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 1362607
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 23102429
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide
CID 1364400
N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 3882509
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308653
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 91683703
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide (CID 9185179) is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide is Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide?
The InChIKey is FPVYLPFBWZFVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c1-8-2-3-9(6-11(8)22-15(23)16(18,19)20)14-21-12-7-10(17)4-5-13(12)24-14/h2-7H,1H3,(H,22,23).
What are the key properties of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide?
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide has a molecular weight of 354.72 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 9185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).