2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

C11H8F3NO2 — CID 59726235

IUPAC2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)co1
InChIInChI=1S/C11H8F3NO2/c1-7-15-10(6-16-7)8-2-4-9(5-3-8)17-11(12,13)14/h2-6H,1H3
InChIKeyNRSIKJOMZYLZQG-UHFFFAOYSA-N
MW243.18 g/mol
LogP3.55
Rot. Bonds2

About 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (PubChem CID 59726235) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
PubChem CID59726235
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)co1
InChIInChI=1S/C11H8F3NO2/c1-7-15-10(6-16-7)8-2-4-9(5-3-8)17-11(12,13)14/h2-6H,1H3
InChIKeyNRSIKJOMZYLZQG-UHFFFAOYSA-N
XLogP3.55
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methanamine;hydrochloride
CID 157332265
1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine
CID 173233608
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (CID 59726235) is 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is Cc1nc(-c2ccc(OC(F)(F)F)cc2)co1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The InChIKey is NRSIKJOMZYLZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-7-15-10(6-16-7)8-2-4-9(5-3-8)17-11(12,13)14/h2-6H,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole has a molecular weight of 243.18 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 59726235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).