2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide

C12H8ClF3N2O2 — CID 14049736

IUPAC2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
SMILESO=C(CCl)Nc1onc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H8ClF3N2O2/c13-6-8(19)17-11-9(7-4-2-1-3-5-7)10(18-20-11)12(14,15)16/h1-5H,6H2,(H,17,19)
InChIKeyAHPSFBKFHMSMPV-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.54
Rot. Bonds3

About 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide

2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 14049736) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
PubChem CID14049736
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
SMILESO=C(CCl)Nc1onc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C12H8ClF3N2O2/c13-6-8(19)17-11-9(7-4-2-1-3-5-7)10(18-20-11)12(14,15)16/h1-5H,6H2,(H,17,19)
InChIKeyAHPSFBKFHMSMPV-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide
CID 7463394
2-chloro-N-[4-(4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
CID 45030874
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417861
2-[5-phenyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetic acid
CID 82488263
2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 174583815
ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
CID 102517664
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide (CID 14049736) is 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide is O=C(CCl)Nc1onc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is AHPSFBKFHMSMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c13-6-8(19)17-11-9(7-4-2-1-3-5-7)10(18-20-11)12(14,15)16/h1-5H,6H2,(H,17,19).
What are the key properties of 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide?
2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 304.66 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 14049736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).