3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine

C12H8F6N2O — CID 117494983

IUPAC3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(C(C(F)(F)F)C(F)(F)F)cc2)no1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)10(12(16,17)18)7-3-1-6(2-4-7)8-5-9(19)21-20-8/h1-5,10H,19H2
InChIKeyALTILCJFYCRCCO-UHFFFAOYSA-N
MW310.20 g/mol
LogP4.13
Rot. Bonds2

About 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine

3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117494983) has the molecular formula C12H8F6N2O and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117494983
Molecular FormulaC12H8F6N2O
Molecular Weight310.20 g/mol
Exact Mass310.05
IUPAC Name3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(C(C(F)(F)F)C(F)(F)F)cc2)no1
InChIInChI=1S/C12H8F6N2O/c13-11(14,15)10(12(16,17)18)7-3-1-6(2-4-7)8-5-9(19)21-20-8/h1-5,10H,19H2
InChIKeyALTILCJFYCRCCO-UHFFFAOYSA-N
XLogP4.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine
CID 117357277
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
3-[4-(trifluoromethyl)isoquinolin-7-yl]-1,2-oxazol-5-amine
CID 117447463
5-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117494004
3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine
CID 82487019
3-[4-(thietan-3-yl)phenyl]-1,2-oxazol-5-amine
CID 117336607
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495
3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
CID 159562874
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine (CID 117494983) is 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(C(C(F)(F)F)C(F)(F)F)cc2)no1.
What is the InChIKey of 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is ALTILCJFYCRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N2O/c13-11(14,15)10(12(16,17)18)7-3-1-6(2-4-7)8-5-9(19)21-20-8/h1-5,10H,19H2.
What are the key properties of 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine?
3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 310.20 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117494983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).