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

C15H14F6N2O3 — CID 10156838

IUPAC2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(CCCO)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H14F6N2O3/c16-14(17,18)13(25,15(19,20)21)9-5-3-8(4-6-9)11-10(2-1-7-24)23-26-12(11)22/h3-6,24-25H,1-2,7,22H2
InChIKeyAHTWSIDYXQNGKR-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.16
Rot. Bonds5

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

2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10156838) has the molecular formula C15H14F6N2O3 and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10156838
Molecular FormulaC15H14F6N2O3
Molecular Weight384.28 g/mol
Exact Mass384.09
IUPAC Name2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(CCCO)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H14F6N2O3/c16-14(17,18)13(25,15(19,20)21)9-5-3-8(4-6-9)11-10(2-1-7-24)23-26-12(11)22/h3-6,24-25H,1-2,7,22H2
InChIKeyAHTWSIDYXQNGKR-UHFFFAOYSA-N
XLogP3.16
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-Methyl-4-phenylisoxazol-5-amine
CID 1382046
2-(4-(5-Amino-3-isopropylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 9969262
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-phenylisoxazol-5-yl)isobutyramide
CID 10116214
2-(4-(3,5-Dimethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10131968
(E)-3-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)acrylonitrile
CID 10134098
2-(4-(5-Amino-3-ethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10155073
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)-2-phenylbutanamide
CID 10164669
2-[4-(5-Amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10199888
2-{4-[5-Amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10221600
1-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)butan-1-one
CID 10272000
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)pentanamide
CID 11712118
2-ethyl-N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)hexanamide
CID 44407236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10156838) is 2-[4-[5-amino-3-(3-hydroxypropyl)-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-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1onc(CCCO)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is AHTWSIDYXQNGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O3/c16-14(17,18)13(25,15(19,20)21)9-5-3-8(4-6-9)11-10(2-1-7-24)23-26-12(11)22/h3-6,24-25H,1-2,7,22H2.
What are the key properties of 2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 384.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-3-(3-hydroxypropyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10156838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).