2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C16H10F6N2O3 — CID 10271802

IUPAC2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(-c2ccoc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N2O3/c17-15(18,19)14(25,16(20,21)22)10-3-1-8(2-4-10)11-12(24-27-13(11)23)9-5-6-26-7-9/h1-7,25H,23H2
InChIKeyGKRCOVFDQVNRIW-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.50
Rot. Bonds3

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

2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10271802) has the molecular formula C16H10F6N2O3 and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10271802
Molecular FormulaC16H10F6N2O3
Molecular Weight392.26 g/mol
Exact Mass392.06
IUPAC Name2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(-c2ccoc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N2O3/c17-15(18,19)14(25,16(20,21)22)10-3-1-8(2-4-10)11-12(24-27-13(11)23)9-5-6-26-7-9/h1-7,25H,23H2
InChIKeyGKRCOVFDQVNRIW-UHFFFAOYSA-N
XLogP4.50
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10271802) is 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1onc(-c2ccoc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GKRCOVFDQVNRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O3/c17-15(18,19)14(25,16(20,21)22)10-3-1-8(2-4-10)11-12(24-27-13(11)23)9-5-6-26-7-9/h1-7,25H,23H2.
What are the key properties of 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 392.26 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-3-(furan-3-yl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10271802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).