5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

C13H12F3NO — CID 21334537

IUPAC5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCCc1oc(-c2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C13H12F3NO/c1-3-11-8(2)17-12(18-11)9-5-4-6-10(7-9)13(14,15)16/h4-7H,3H2,1-2H3
InChIKeyPMZCPOKYYGREMR-UHFFFAOYSA-N
MW255.24 g/mol
LogP4.23
Rot. Bonds2

About 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 21334537) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID21334537
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCCc1oc(-c2cccc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C13H12F3NO/c1-3-11-8(2)17-12(18-11)9-5-4-6-10(7-9)13(14,15)16/h4-7H,3H2,1-2H3
InChIKeyPMZCPOKYYGREMR-UHFFFAOYSA-N
XLogP4.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962
4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 142936042
4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 170147212
5-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 115059776
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine
CID 138805638
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
2-(1-ethyl-3-methylpyrazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 4777457
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
5-(2-bromoethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 174698840
5-methyl-4-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750905
5-(1,1-difluoroprop-2-enyl)-4-(iodomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 163520323

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (CID 21334537) is 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is CCc1oc(-c2cccc(C(F)(F)F)c2)nc1C.
What is the InChIKey of 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is PMZCPOKYYGREMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-3-11-8(2)17-12(18-11)9-5-4-6-10(7-9)13(14,15)16/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 255.24 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 21334537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).