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

C18H12F6N2O2 — CID 10294500

IUPAC2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(-c2ccccc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N2O2/c19-17(20,21)16(27,18(22,23)24)12-8-6-10(7-9-12)13-14(26-28-15(13)25)11-4-2-1-3-5-11/h1-9,27H,25H2
InChIKeySBWPCNXQABKKDU-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.90
Rot. Bonds3

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

2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10294500) has the molecular formula C18H12F6N2O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10294500
Molecular FormulaC18H12F6N2O2
Molecular Weight402.29 g/mol
Exact Mass402.08
IUPAC Name2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(-c2ccccc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H12F6N2O2/c19-17(20,21)16(27,18(22,23)24)12-8-6-10(7-9-12)13-14(26-28-15(13)25)11-4-2-1-3-5-11/h1-9,27H,25H2
InChIKeySBWPCNXQABKKDU-UHFFFAOYSA-N
XLogP4.90
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.90
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-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10294500) is 2-[4-(5-amino-3-phenyl-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-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1onc(-c2ccccc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is SBWPCNXQABKKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2O2/c19-17(20,21)16(27,18(22,23)24)12-8-6-10(7-9-12)13-14(26-28-15(13)25)11-4-2-1-3-5-11/h1-9,27H,25H2.
What are the key properties of 2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(5-amino-3-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 402.29 g/mol, XLogP of 4.90, 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-phenyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10294500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).