1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one

C16H18FNO2 — CID 11991891

IUPAC1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(F)o1
InChIInChI=1S/C16H18FNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
InChIKeyKUKHXFUDITXZRG-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.19
Rot. Bonds8

About 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one

1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one (PubChem CID 11991891) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one
PubChem CID11991891
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ncc(F)o1
InChIInChI=1S/C16H18FNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
InChIKeyKUKHXFUDITXZRG-UHFFFAOYSA-N
XLogP4.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one?
The IUPAC name of 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one (CID 11991891) is 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one.
What is the SMILES notation for 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one?
The canonical SMILES for 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one is O=C(CCCCCCc1ccccc1)c1ncc(F)o1.
What is the InChIKey of 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one?
The InChIKey is KUKHXFUDITXZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-15-12-18-16(20-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2.
What are the key properties of 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one?
1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one has a molecular weight of 275.32 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-oxazol-2-yl)-7-phenylheptan-1-one is sourced from PubChem (CID 11991891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).