3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one

C20H19NO6 — CID 129407104

IUPAC3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc(OC)c1O
InChIInChI=1S/C20H19NO6/c1-25-17-10-13(11-18(26-2)19(17)23)6-7-16(22)14-4-3-5-15(12-14)21-8-9-27-20(21)24/h3-7,10-12,23H,8-9H2,1-2H3/b7-6-
InChIKeyNMSHSSCVENBIGV-SREVYHEPSA-N
MW369.37 g/mol
LogP3.26
Rot. Bonds6

About 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 129407104) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID129407104
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc(OC)c1O
InChIInChI=1S/C20H19NO6/c1-25-17-10-13(11-18(26-2)19(17)23)6-7-16(22)14-4-3-5-15(12-14)21-8-9-27-20(21)24/h3-7,10-12,23H,8-9H2,1-2H3/b7-6-
InChIKeyNMSHSSCVENBIGV-SREVYHEPSA-N
XLogP3.26
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-(3-fluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 78905744
1-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-4-phenylimidazolidin-2-one
CID 123472712
3-[3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 52762129
3-[3-[3-(2,3-difluorophenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 72688991
3-[3-[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 47078670
3-[3-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one
CID 77270255
4-[3-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-1-enyl]benzoic acid
CID 71937000
3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602506
3-[3-[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602616
3-[3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-5-thiophen-2-yl-1H-imidazol-2-one
CID 67343417
(E)-1-(2,6-difluorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8853497
3-[3-[3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 75939954

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one (CID 129407104) is 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is COc1cc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc(OC)c1O.
What is the InChIKey of 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NMSHSSCVENBIGV-SREVYHEPSA-N. The full InChI is InChI=1S/C20H19NO6/c1-25-17-10-13(11-18(26-2)19(17)23)6-7-16(22)14-4-3-5-15(12-14)21-8-9-27-20(21)24/h3-7,10-12,23H,8-9H2,1-2H3/b7-6-.
What are the key properties of 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 369.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129407104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).