2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid

C8H7F3N2O3 — CID 106213924

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)13-6-12-4(3-16-6)5(14)15/h3H,1-2H2,(H,12,13)(H,14,15)
InChIKeyNRKUNIGPONXMQY-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.88
Rot. Bonds3

About 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid

2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 106213924) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid
PubChem CID106213924
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)13-6-12-4(3-16-6)5(14)15/h3H,1-2H2,(H,12,13)(H,14,15)
InChIKeyNRKUNIGPONXMQY-UHFFFAOYSA-N
XLogP1.88
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trifluoromethylamino)-1,3-oxazole-4-carboxylic acid
CID 175270597
2-Amino-1,3-oxazole-4-carboxylic acid
CID 21955402
Ethyl 2-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazole-4-carboxylate
CID 84424489
2-[(4-Ethoxycarbonyl-1,3-oxazol-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 104112687
2-(2,2,2-Trifluoroethylamino)-1,3-oxazole-4-carboxylic acid
CID 104113109
2-[Methyl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113333
2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113715
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113721
2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113723
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 104113724
2-(3,3,3-Trifluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 104114059
Ethyl 2-(3,3,3-trifluoropropylamino)-1,3-oxazole-4-carboxylate
CID 104114060

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid (CID 106213924) is 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NC2(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is NRKUNIGPONXMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c9-8(10,11)7(1-2-7)13-6-12-4(3-16-6)5(14)15/h3H,1-2H2,(H,12,13)(H,14,15).
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid?
2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 106213924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).