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

C15H14F2N2O2 — CID 137463132

IUPAC5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(C3=CCCC3)c(C(F)F)c2)CO1
InChIInChI=1S/C15H14F2N2O2/c16-14(17)12-7-10(13-8-21-15(20)19-18-13)5-6-11(12)9-3-1-2-4-9/h3,5-7,14H,1-2,4,8H2,(H,19,20)
InChIKeyYQNZHHDYPPXVSY-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.64
Rot. Bonds3

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

5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137463132) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137463132
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(C3=CCCC3)c(C(F)F)c2)CO1
InChIInChI=1S/C15H14F2N2O2/c16-14(17)12-7-10(13-8-21-15(20)19-18-13)5-6-11(12)9-3-1-2-4-9/h3,5-7,14H,1-2,4,8H2,(H,19,20)
InChIKeyYQNZHHDYPPXVSY-UHFFFAOYSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Bay-2666605
CID 137465182
2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-
CID 112849
5-(4-Methyl-3-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-ol
CID 146424931
5-[3-Cyclopropyl-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424992
5-[4-Cyclopropyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 151199197
5-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 162675346
US11427553, Example 162
CID 137462652
US11427553, Example 154
CID 137462656
US11427553, Example 177
CID 137462657
US11427553, Example 83
CID 137462658
5-[4-(4-Hydroxycyclohexyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462665
US11427553, Example 199
CID 137462666

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137463132) is 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(C3=CCCC3)c(C(F)F)c2)CO1.
What is the InChIKey of 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is YQNZHHDYPPXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-14(17)12-7-10(13-8-21-15(20)19-18-13)5-6-11(12)9-3-1-2-4-9/h3,5-7,14H,1-2,4,8H2,(H,19,20).
What are the key properties of 5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[4-(cyclopenten-1-yl)-3-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 292.29 g/mol, XLogP of 3.64, 3 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-(difluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137463132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).