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

C14H12F6N2O2 — CID 10155073

IUPAC2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H12F6N2O2/c1-2-9-10(11(21)24-22-9)7-3-5-8(6-4-7)12(23,13(15,16)17)14(18,19)20/h3-6,23H,2,21H2,1H3
InChIKeyZXSQHTDULMSNMS-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.80
Rot. Bonds3

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

2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10155073) has the molecular formula C14H12F6N2O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10155073
Molecular FormulaC14H12F6N2O2
Molecular Weight354.25 g/mol
Exact Mass354.08
IUPAC Name2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H12F6N2O2/c1-2-9-10(11(21)24-22-9)7-3-5-8(6-4-7)12(23,13(15,16)17)14(18,19)20/h3-6,23H,2,21H2,1H3
InChIKeyZXSQHTDULMSNMS-UHFFFAOYSA-N
XLogP3.80
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10155073) is 2-[4-(5-amino-3-ethyl-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-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZXSQHTDULMSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O2/c1-2-9-10(11(21)24-22-9)7-3-5-8(6-4-7)12(23,13(15,16)17)14(18,19)20/h3-6,23H,2,21H2,1H3.
What are the key properties of 2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 354.25 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-3-ethyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10155073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).