1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]

C16H20FNO3 — CID 129013092

IUPAC1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]
SMILESCC1OC(c2ccc(F)cc2)C2CC3(CCN12)OCCO3
InChIInChI=1S/C16H20FNO3/c1-11-18-7-6-16(19-8-9-20-16)10-14(18)15(21-11)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3
InChIKeyRDQFXJCQFPYZDL-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.45
Rot. Bonds1

About 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]

1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] (PubChem CID 129013092) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane].

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]
PubChem CID129013092
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]
SMILESCC1OC(c2ccc(F)cc2)C2CC3(CCN12)OCCO3
InChIInChI=1S/C16H20FNO3/c1-11-18-7-6-16(19-8-9-20-16)10-14(18)15(21-11)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3
InChIKeyRDQFXJCQFPYZDL-UHFFFAOYSA-N
XLogP2.45
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
The IUPAC name of 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] (CID 129013092) is 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane].
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] is CC1OC(c2ccc(F)cc2)C2CC3(CCN12)OCCO3.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
The InChIKey is RDQFXJCQFPYZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11-18-7-6-16(19-8-9-20-16)10-14(18)15(21-11)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] has a molecular weight of 293.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] is sourced from PubChem (CID 129013092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).