1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid

C9H8F3NO5 — CID 174573659

IUPAC1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC1.O=C(O)c1ccon1
InChIInChI=1S/C5H5F3O2.C4H3NO3/c6-5(7,8)4(1-2-4)3(9)10;6-4(7)3-1-2-8-5-3/h1-2H2,(H,9,10);1-2H,(H,6,7)
InChIKeyDRVGDSFFJFVGER-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.79
Rot. Bonds2

About 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid

1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 174573659) has the molecular formula C9H8F3NO5 and a molecular weight of 267.16 g/mol. Its IUPAC name is 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID174573659
Molecular FormulaC9H8F3NO5
Molecular Weight267.16 g/mol
Exact Mass267.04
IUPAC Name1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CC1.O=C(O)c1ccon1
InChIInChI=1S/C5H5F3O2.C4H3NO3/c6-5(7,8)4(1-2-4)3(9)10;6-4(7)3-1-2-8-5-3/h1-2H2,(H,9,10);1-2H,(H,6,7)
InChIKeyDRVGDSFFJFVGER-UHFFFAOYSA-N
XLogP1.79
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isoxazolecarboxylic acid
CID 11286453
4-(Trifluoromethyl)isoxazole-3-carboxylic acid
CID 68721568
Trifluoromethyl 1,2-oxazole-3-carboxylate
CID 154461208
3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid;1,2-oxazole-3-carboxylic acid
CID 159564630
1,2-Oxazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 162333064
Cyclopropyl 2,2,2-trifluoroacetate;1,2-oxazole-3-carboxylic acid
CID 174573657
Ethyl 1,2-oxazole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 177712389
4-(Difluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 84651492
(1R,3R)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid;1,2-oxazole-3-carboxylic acid
CID 159564629
3-(Trifluoromethyl)-1,2-oxazole;4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 162541465
Cyclopropylmethyl 1,2-oxazole-3-carboxylate
CID 20325095
Formaldehyde;1,2-oxazole-3-carboxylic acid
CID 67075664

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 174573659) is 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(F)(F)F)CC1.O=C(O)c1ccon1.
What is the InChIKey of 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is DRVGDSFFJFVGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2.C4H3NO3/c6-5(7,8)4(1-2-4)3(9)10;6-4(7)3-1-2-8-5-3/h1-2H2,(H,9,10);1-2H,(H,6,7).
What are the key properties of 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid?
1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 267.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-3-carboxylic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 174573659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).