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

C17H11F6N3O2 — CID 10272495

IUPAC2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(-c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N3O2/c18-16(19,20)15(27,17(21,22)23)11-3-1-9(2-4-11)12-13(26-28-14(12)24)10-5-7-25-8-6-10/h1-8,27H,24H2
InChIKeyINBHFJIACZSINN-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.30
Rot. Bonds3

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

2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10272495) has the molecular formula C17H11F6N3O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10272495
Molecular FormulaC17H11F6N3O2
Molecular Weight403.28 g/mol
Exact Mass403.08
IUPAC Name2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1onc(-c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H11F6N3O2/c18-16(19,20)15(27,17(21,22)23)11-3-1-9(2-4-11)12-13(26-28-14(12)24)10-5-7-25-8-6-10/h1-8,27H,24H2
InChIKeyINBHFJIACZSINN-UHFFFAOYSA-N
XLogP4.30
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-(pyridin-4-yl)isoxazol-5-yl)isobutyramide
CID 10140239
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-3-isopropylisoxazol-5-yl)isonicotinamide
CID 10227245
N-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-5-methylisoxazol-3-yl)isonicotinamide
CID 10297307
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
3-(4-Fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 58659496
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 118706305
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 118706306
5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 1122041
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-4-phenylbutanamide
CID 118706307
5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298
4-[(E)-2-[2-(5-fluoro-2-hydroxyphenyl)-4-pyridinyl]ethenyl]-N-hydroxybenzamide
CID 166631579
N-[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 118706303

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10272495) is 2-[4-(5-amino-3-pyridin-4-yl-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-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1onc(-c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is INBHFJIACZSINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3O2/c18-16(19,20)15(27,17(21,22)23)11-3-1-9(2-4-11)12-13(26-28-14(12)24)10-5-7-25-8-6-10/h1-8,27H,24H2.
What are the key properties of 2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 403.28 g/mol, XLogP of 4.30, 3 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-pyridin-4-yl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10272495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).