N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C16H17F3N2O4 — CID 71796129

IUPACN-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)10-21(11-5-7-24-8-6-11)14(22)9-20-12-3-1-2-4-13(12)25-15(20)23/h1-4,11H,5-10H2
InChIKeyAWFZPPJQQYJVOP-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.16
Rot. Bonds4

About N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71796129) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71796129
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC NameN-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)10-21(11-5-7-24-8-6-11)14(22)9-20-12-3-1-2-4-13(12)25-15(20)23/h1-4,11H,5-10H2
InChIKeyAWFZPPJQQYJVOP-UHFFFAOYSA-N
XLogP2.16
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-N-cyclopropyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 87028766
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 7118821
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 90554659
4-(1,3-dioxoisoindol-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 90554824
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 157016365
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52907105
N-cyclopentyl-N-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949232
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 131897549
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71796129) is N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1c(=O)oc2ccccc21)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AWFZPPJQQYJVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c17-16(18,19)10-21(11-5-7-24-8-6-11)14(22)9-20-12-3-1-2-4-13(12)25-15(20)23/h1-4,11H,5-10H2.
What are the key properties of N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 358.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71796129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).