2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

C10H12F3NO4 — CID 103199455

IUPAC2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCC(C)Cc1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H12F3NO4/c1-5(4-17-2)3-6-14-8(10(11,12)13)7(18-6)9(15)16/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyQOCZCVJINSCTJG-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.22
Rot. Bonds5

About 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199455) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199455
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCOCC(C)Cc1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C10H12F3NO4/c1-5(4-17-2)3-6-14-8(10(11,12)13)7(18-6)9(15)16/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyQOCZCVJINSCTJG-UHFFFAOYSA-N
XLogP2.22
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199455) is 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is COCC(C)Cc1nc(C(F)(F)F)c(C(=O)O)o1.
What is the InChIKey of 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is QOCZCVJINSCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4/c1-5(4-17-2)3-6-14-8(10(11,12)13)7(18-6)9(15)16/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 267.20 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).