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

C15H14F6N2O3 — CID 10221600

IUPAC2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCOCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H14F6N2O3/c1-2-25-7-10-11(12(22)26-23-10)8-3-5-9(6-4-8)13(24,14(16,17)18)15(19,20)21/h3-6,24H,2,7,22H2,1H3
InChIKeyFNNKJTYMEQTYCW-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.77
Rot. Bonds5

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

2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10221600) has the molecular formula C15H14F6N2O3 and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10221600
Molecular FormulaC15H14F6N2O3
Molecular Weight384.28 g/mol
Exact Mass384.09
IUPAC Name2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCOCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H14F6N2O3/c1-2-25-7-10-11(12(22)26-23-10)8-3-5-9(6-4-8)13(24,14(16,17)18)15(19,20)21/h3-6,24H,2,7,22H2,1H3
InChIKeyFNNKJTYMEQTYCW-UHFFFAOYSA-N
XLogP3.77
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate
CID 4962898
2-(4-(5-Amino-3-isopropylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 9969262
2-(4-(3,5-Dimethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10131968
2-(4-(5-Amino-3-ethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10155073
3-(5-Amino-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)isoxazol-3-yl)propan-1-ol
CID 10156838
Ethyl 4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazole-3-carboxylate
CID 10178913
2-[4-(5-Amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10199888
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
2-(4-(5-Amino-3-(4-methoxyphenyl)isoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10137647
(E)-2-(4-(5-amino-3-(but-2-enyl)isoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10177786
3-(5-Amino-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)isoxazol-3-yl)propanoic acid
CID 10178967

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10221600) is 2-[4-[5-amino-3-(ethoxymethyl)-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-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCOCc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FNNKJTYMEQTYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O3/c1-2-25-7-10-11(12(22)26-23-10)8-3-5-9(6-4-8)13(24,14(16,17)18)15(19,20)21/h3-6,24H,2,7,22H2,1H3.
What are the key properties of 2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[5-amino-3-(ethoxymethyl)-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 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10221600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).