2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one

C23H16N2O4 — CID 144937739

IUPAC2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)oc1=O
InChIInChI=1S/C23H16N2O4/c1-3-7-18-16(4-2)22(26)28-20(24-18)14-10-12-15(13-11-14)21-25-19-9-6-5-8-17(19)23(27)29-21/h3-13H,2H2,1H3/b7-3-
InChIKeyXIOOLAPFPVFMAG-CLTKARDFSA-N
MW384.39 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one

2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one (PubChem CID 144937739) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one
PubChem CID144937739
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)oc1=O
InChIInChI=1S/C23H16N2O4/c1-3-7-18-16(4-2)22(26)28-20(24-18)14-10-12-15(13-11-14)21-25-19-9-6-5-8-17(19)23(27)29-21/h3-13H,2H2,1H3/b7-3-
InChIKeyXIOOLAPFPVFMAG-CLTKARDFSA-N
XLogP4.55
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one with MolForge

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Related Compounds

CID 68568728
CID 68568728
2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
CID 13267780
2-(3,4-dichlorophenyl)-3,1-benzoxazin-4-one
CID 625977
2-(1-methylpyrazol-4-yl)-3,1-benzoxazin-4-one
CID 57362272
2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one
CID 59140862
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
CID 7374034
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
4-nitro-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
CID 17380466
2-naphthalen-1-yl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359810
2-(4-chloro-3-nitrophenyl)-3,1-benzoxazin-4-one
CID 745570
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one (CID 144937739) is 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one is C=Cc1c(/C=C\C)nc(-c2ccc(-c3nc4ccccc4c(=O)o3)cc2)oc1=O.
What is the InChIKey of 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one?
The InChIKey is XIOOLAPFPVFMAG-CLTKARDFSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-3-7-18-16(4-2)22(26)28-20(24-18)14-10-12-15(13-11-14)21-25-19-9-6-5-8-17(19)23(27)29-21/h3-13H,2H2,1H3/b7-3-.
What are the key properties of 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one?
2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one has a molecular weight of 384.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-ethenyl-6-oxo-4-[(Z)-prop-1-enyl]-1,3-oxazin-2-yl]phenyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 144937739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).