5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C15H11FN2O3 — CID 137462735

IUPAC5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3ccc(O)cc3)c(F)c2)CO1
InChIInChI=1S/C15H11FN2O3/c16-13-7-10(14-8-21-15(20)18-17-14)3-6-12(13)9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H,18,20)
InChIKeyKKAXRVSOWPINSF-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.64
Rot. Bonds2

About 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462735) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462735
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3ccc(O)cc3)c(F)c2)CO1
InChIInChI=1S/C15H11FN2O3/c16-13-7-10(14-8-21-15(20)18-17-14)3-6-12(13)9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H,18,20)
InChIKeyKKAXRVSOWPINSF-UHFFFAOYSA-N
XLogP2.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-[bis(4-hydroxyphenyl)methylidene]hydrazinecarboxylate
CID 135647543
US11427553, Example 37
CID 137462708
US11427553, Example 106
CID 137462743
US11427553, Example 35
CID 137462826
US11427553, Example 116
CID 137462861
US11427553, Example 174
CID 137463122
US11427553, Example 175
CID 137463406
US11427553, Example 104
CID 137465159
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
Ethyl 2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazine-1-carboxylate
CID 135458927
ethyl N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 135854173
ethyl N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 135544968

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462735) is 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(-c3ccc(O)cc3)c(F)c2)CO1.
What is the InChIKey of 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is KKAXRVSOWPINSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-13-7-10(14-8-21-15(20)18-17-14)3-6-12(13)9-1-4-11(19)5-2-9/h1-7,19H,8H2,(H,18,20).
What are the key properties of 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 286.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).