2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C12H11F3N2O3 — CID 103730689

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)10(18)6-16-11(19)5-8-7-3-1-2-4-9(7)20-17-8/h1-4,10,18H,5-6H2,(H,16,19)
InChIKeyKYJBHOQPIWIBMW-UHFFFAOYSA-N
MW288.22 g/mol
LogP1.41
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103730689) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103730689
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1noc2ccccc12)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)10(18)6-16-11(19)5-8-7-3-1-2-4-9(7)20-17-8/h1-4,10,18H,5-6H2,(H,16,19)
InChIKeyKYJBHOQPIWIBMW-UHFFFAOYSA-N
XLogP1.41
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650034
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812591
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-methoxybutanoic acid
CID 103153009
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94819513
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
2-(1,2-benzoxazol-3-yl)-N-(2-methylbutan-2-yl)acetamide
CID 46554827
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(1,2-benzoxazol-3-yl)-N',N'-diphenylacetohydrazide
CID 47009947

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103730689) is 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cc1noc2ccccc12)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is KYJBHOQPIWIBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)10(18)6-16-11(19)5-8-7-3-1-2-4-9(7)20-17-8/h1-4,10,18H,5-6H2,(H,16,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 288.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103730689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).