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

C16H16F6N2O2 — CID 10199888

IUPAC2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H16F6N2O2/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/h5-8,25H,2-4,23H2,1H3
InChIKeyBZUJURFRSJLREH-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.58
Rot. Bonds5

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

2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10199888) has the molecular formula C16H16F6N2O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10199888
Molecular FormulaC16H16F6N2O2
Molecular Weight382.30 g/mol
Exact Mass382.11
IUPAC Name2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCCCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H16F6N2O2/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/h5-8,25H,2-4,23H2,1H3
InChIKeyBZUJURFRSJLREH-UHFFFAOYSA-N
XLogP4.58
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.58
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-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10199888) is 2-[4-(5-amino-3-butyl-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-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCCCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BZUJURFRSJLREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N2O2/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/h5-8,25H,2-4,23H2,1H3.
What are the key properties of 2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(5-amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 382.30 g/mol, XLogP of 4.58, 5 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-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10199888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).