8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol

C12H8F3NO3 — CID 101421656

IUPAC8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
SMILESCc1ccc2c(c1)-c1oncc1C(O)(C(F)(F)F)O2
InChIInChI=1S/C12H8F3NO3/c1-6-2-3-9-7(4-6)10-8(5-16-19-10)11(17,18-9)12(13,14)15/h2-5,17H,1H3
InChIKeyXLRIPZCRPIJYDK-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.75
Rot. Bonds

About 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol

8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol (PubChem CID 101421656) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol.

Molecular Properties

Compound Name8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
PubChem CID101421656
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
SMILESCc1ccc2c(c1)-c1oncc1C(O)(C(F)(F)F)O2
InChIInChI=1S/C12H8F3NO3/c1-6-2-3-9-7(4-6)10-8(5-16-19-10)11(17,18-9)12(13,14)15/h2-5,17H,1H3
InChIKeyXLRIPZCRPIJYDK-UHFFFAOYSA-N
XLogP2.75
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d][1,2]oxazol-9-ol
CID 155567068
4-(trifluoromethyl)-4H-chromeno[3,4-d][1,2]oxazol-4-ol
CID 16762721
5-(4-Trifluoromethoxyphenyl)-4-isoxazolylmethanol
CID 22220981
8-fluoro-4-methyl-4H-chromeno[3,4-d][1,2]oxazole
CID 70356219
5-[2-(Difluoromethoxy)phenyl]-1,2-oxazole-4-carboxylic acid
CID 113276438
4-Ethyl-5-methoxy-2-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenol
CID 136156466
1,2-Benzoxazol-5-ylmethyl acetate;[4-oxo-2-(trifluoromethyl)chromen-6-yl]methyl acetate
CID 160223124
5-[2-Fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,2-oxazole
CID 166147742
4-Methylpyrano[2,3-e][1,2]benzoxazol-2-one
CID 72698172
Chromeno[3,4-d][1,2]oxazol-4-one
CID 86219695
Hydroxy-8-{[5-(2-hydroxy-5-methylphenyl)isoxazol-4-yl]methyl}-3-phenyl-2h-chromen-2-one
CID 168475181
(4R)-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol
CID 42559529

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The IUPAC name of 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol (CID 101421656) is 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol.
What is the SMILES notation for 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The canonical SMILES for 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol is Cc1ccc2c(c1)-c1oncc1C(O)(C(F)(F)F)O2.
What is the InChIKey of 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
The InChIKey is XLRIPZCRPIJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c1-6-2-3-9-7(4-6)10-8(5-16-19-10)11(17,18-9)12(13,14)15/h2-5,17H,1H3.
What are the key properties of 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol?
8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol has a molecular weight of 271.19 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(trifluoromethyl)chromeno[3,4-d][1,2]oxazol-4-ol is sourced from PubChem (CID 101421656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).