2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C14H13F3N2O2 — CID 86776642

IUPAC2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCC(F)(F)F
InChIInChI=1S/C14H13F3N2O2/c1-9-11(7-12(20)18-8-14(15,16)17)19-13(21-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyKZKBASNLAWICNW-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.87
Rot. Bonds4

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 86776642) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID86776642
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCC(F)(F)F
InChIInChI=1S/C14H13F3N2O2/c1-9-11(7-12(20)18-8-14(15,16)17)19-13(21-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyKZKBASNLAWICNW-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30371615
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(3-aminobutyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119497322
benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 24675874
N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111464140
N'-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N'-phenylacetohydrazide
CID 51112549
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55663551

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 86776642) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KZKBASNLAWICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-9-11(7-12(20)18-8-14(15,16)17)19-13(21-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,18,20).
What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 298.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 86776642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).