4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

C10H7F3N2O — CID 20546740

IUPAC4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-16-9(8)14/h1-5H,14H2
InChIKeyUSBXEQRBNAJDSO-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.94
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 20546740) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID20546740
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-16-9(8)14/h1-5H,14H2
InChIKeyUSBXEQRBNAJDSO-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chlorophenyl)-5-isoxazolamine
CID 46702
4-Phenyl-1,2-oxazol-5-amine
CID 2748785
4-(4-Fluorophenyl)Isoxazol-5-Amine
CID 22424949
4-(3-Chlorophenyl)-1,2-oxazol-5-amine
CID 45790362
N-methyl-4-phenyl-1,2-oxazol-5-amine
CID 118895094
4-Phenylisoxazole
CID 2750134
5-Amino-4-(4-bromophenyl)isoxazole
CID 26597017
4-(2-Fluorophenyl)-1,2-oxazol-5-amine
CID 61553161
4-(2,4-Difluorophenyl)-1,2-oxazol-5-amine
CID 64559518
4-(4-Fluorophenyl)isoxazole
CID 130038548
4-(4-Fluorophenyl)-5-methyl-1,2-oxazole
CID 130439192
5-Methyl-4-phenylisoxazole
CID 594379

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 20546740) is 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is USBXEQRBNAJDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-15-16-9(8)14/h1-5H,14H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 228.17 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 20546740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).