5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C14H13FN2O2 — CID 137462658

IUPAC5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(C3=CCCC3)c(F)c2)CO1
InChIInChI=1S/C14H13FN2O2/c15-12-7-10(13-8-19-14(18)17-16-13)5-6-11(12)9-3-1-2-4-9/h3,5-7H,1-2,4,8H2,(H,17,18)
InChIKeySUVQIVLAVXUFRQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.84
Rot. Bonds2

About 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462658) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462658
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(C3=CCCC3)c(F)c2)CO1
InChIInChI=1S/C14H13FN2O2/c15-12-7-10(13-8-19-14(18)17-16-13)5-6-11(12)9-3-1-2-4-9/h3,5-7H,1-2,4,8H2,(H,17,18)
InChIKeySUVQIVLAVXUFRQ-UHFFFAOYSA-N
XLogP2.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462658) is 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(C3=CCCC3)c(F)c2)CO1.
What is the InChIKey of 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is SUVQIVLAVXUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-7-10(13-8-19-14(18)17-16-13)5-6-11(12)9-3-1-2-4-9/h3,5-7H,1-2,4,8H2,(H,17,18).
What are the key properties of 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 260.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopenten-1-yl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).