2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide

C14H15F3N2O3 — CID 67408081

IUPAC2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide
SMILESCCC(C)C(=O)Nc1noc2cccc(OCC(F)(F)F)c12
InChIInChI=1S/C14H15F3N2O3/c1-3-8(2)13(20)18-12-11-9(21-7-14(15,16)17)5-4-6-10(11)22-19-12/h4-6,8H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyCCIAZCCSWVZYNJ-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.75
Rot. Bonds5

About 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide

2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide (PubChem CID 67408081) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide
PubChem CID67408081
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide
SMILESCCC(C)C(=O)Nc1noc2cccc(OCC(F)(F)F)c12
InChIInChI=1S/C14H15F3N2O3/c1-3-8(2)13(20)18-12-11-9(21-7-14(15,16)17)5-4-6-10(11)22-19-12/h4-6,8H,3,7H2,1-2H3,(H,18,19,20)
InChIKeyCCIAZCCSWVZYNJ-UHFFFAOYSA-N
XLogP3.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide?
The IUPAC name of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide (CID 67408081) is 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide.
What is the SMILES notation for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide?
The canonical SMILES for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide is CCC(C)C(=O)Nc1noc2cccc(OCC(F)(F)F)c12.
What is the InChIKey of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide?
The InChIKey is CCIAZCCSWVZYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-3-8(2)13(20)18-12-11-9(21-7-14(15,16)17)5-4-6-10(11)22-19-12/h4-6,8H,3,7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide?
2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide has a molecular weight of 316.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]butanamide is sourced from PubChem (CID 67408081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).