N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

C18H15F3N2O3 — CID 24612049

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(COCC(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C18H15F3N2O3/c1-11-22-15-8-14(6-7-16(15)26-11)23-17(24)13-4-2-12(3-5-13)9-25-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,23,24)
InChIKeyWBOIQMVBKOJQPY-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.47
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 24612049) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID24612049
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(COCC(F)(F)F)cc3)ccc2o1
InChIInChI=1S/C18H15F3N2O3/c1-11-22-15-8-14(6-7-16(15)26-11)23-17(24)13-4-2-12(3-5-13)9-25-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,23,24)
InChIKeyWBOIQMVBKOJQPY-UHFFFAOYSA-N
XLogP4.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
N,N-dimethyl-3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 30379466
ethyl 4-[(2-methyl-1,3-benzoxazole-5-carbonyl)amino]benzoate
CID 110388051
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 34303904
N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 30341698
N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 46261955
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 37040634
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55677099
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 24612049) is N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1nc2cc(NC(=O)c3ccc(COCC(F)(F)F)cc3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is WBOIQMVBKOJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-11-22-15-8-14(6-7-16(15)26-11)23-17(24)13-4-2-12(3-5-13)9-25-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,23,24).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 364.32 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 24612049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).