2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol

C18H17FN2O2 — CID 58119366

IUPAC2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C18H17FN2O2/c1-18(2,22)16-8-5-13(10-20-16)15-11-23-17(21-15)9-12-3-6-14(19)7-4-12/h3-8,10-11,22H,9H2,1-2H3
InChIKeyNSLDMROXTKAZBC-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.69
Rot. Bonds4

About 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol

2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (PubChem CID 58119366) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
PubChem CID58119366
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C18H17FN2O2/c1-18(2,22)16-8-5-13(10-20-16)15-11-23-17(21-15)9-12-3-6-14(19)7-4-12/h3-8,10-11,22H,9H2,1-2H3
InChIKeyNSLDMROXTKAZBC-UHFFFAOYSA-N
XLogP3.69
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol (CID 58119366) is 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cn1.
What is the InChIKey of 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is NSLDMROXTKAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-18(2,22)16-8-5-13(10-20-16)15-11-23-17(21-15)9-12-3-6-14(19)7-4-12/h3-8,10-11,22H,9H2,1-2H3.
What are the key properties of 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol?
2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 312.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-4-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 58119366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).