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

C16H14F6N2O2 — CID 10177786

IUPAC2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC/C=C/Cc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H14F6N2O2/c1-2-3-4-11-12(13(23)26-24-11)9-5-7-10(8-6-9)14(25,15(17,18)19)16(20,21)22/h2-3,5-8,25H,4,23H2,1H3/b3-2+
InChIKeyMOSPPSJYAWBHCQ-NSCUHMNNSA-N
MW380.29 g/mol
LogP4.35
Rot. Bonds4

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

2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10177786) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10177786
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC Name2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC/C=C/Cc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H14F6N2O2/c1-2-3-4-11-12(13(23)26-24-11)9-5-7-10(8-6-9)14(25,15(17,18)19)16(20,21)22/h2-3,5-8,25H,4,23H2,1H3/b3-2+
InChIKeyMOSPPSJYAWBHCQ-NSCUHMNNSA-N
XLogP4.35
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10177786) is 2-[4-[5-amino-3-[(E)-but-2-enyl]-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-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C/C=C/Cc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is MOSPPSJYAWBHCQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c1-2-3-4-11-12(13(23)26-24-11)9-5-7-10(8-6-9)14(25,15(17,18)19)16(20,21)22/h2-3,5-8,25H,4,23H2,1H3/b3-2+.
What are the key properties of 2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[5-amino-3-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 380.29 g/mol, XLogP of 4.35, 4 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-[(E)-but-2-enyl]-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10177786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).