4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid

C10H7F6NO3 — CID 103311248

IUPAC4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(C(C(F)(F)F)C(F)(F)F)nc1C1CC1
InChIInChI=1S/C10H7F6NO3/c11-9(12,13)6(10(14,15)16)7-17-4(3-1-2-3)5(20-7)8(18)19/h3,6H,1-2H2,(H,18,19)
InChIKeyKBHWVDYCQZNFTQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.46
Rot. Bonds3

About 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid

4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103311248) has the molecular formula C10H7F6NO3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID103311248
Molecular FormulaC10H7F6NO3
Molecular Weight303.16 g/mol
Exact Mass303.03
IUPAC Name4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(C(C(F)(F)F)C(F)(F)F)nc1C1CC1
InChIInChI=1S/C10H7F6NO3/c11-9(12,13)6(10(14,15)16)7-17-4(3-1-2-3)5(20-7)8(18)19/h3,6H,1-2H2,(H,18,19)
InChIKeyKBHWVDYCQZNFTQ-UHFFFAOYSA-N
XLogP3.46
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
4-cyclopropyl-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374240
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 114374260
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
4-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 115051291
4-cyclopropyl-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374176
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
4-(thiolan-3-yl)-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 115049712
4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
CID 125454593
2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid (CID 103311248) is 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(C(C(F)(F)F)C(F)(F)F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is KBHWVDYCQZNFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO3/c11-9(12,13)6(10(14,15)16)7-17-4(3-1-2-3)5(20-7)8(18)19/h3,6H,1-2H2,(H,18,19).
What are the key properties of 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 303.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103311248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).