(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C23H24N2O6 — CID 16867162

IUPAC(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(-c2cc(CNC(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C23H24N2O6/c1-27-18-8-6-16(7-9-18)19-13-17(25-31-19)14-24-22(26)10-5-15-11-20(28-2)23(30-4)21(12-15)29-3/h5-13H,14H2,1-4H3,(H,24,26)/b10-5-
InChIKeyBSWIBSQXZBEMOG-YHYXMXQVSA-N
MW424.45 g/mol
LogP3.71
Rot. Bonds9

About (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 16867162) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID16867162
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(-c2cc(CNC(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C23H24N2O6/c1-27-18-8-6-16(7-9-18)19-13-17(25-31-19)14-24-22(26)10-5-15-11-20(28-2)23(30-4)21(12-15)29-3/h5-13H,14H2,1-4H3,(H,24,26)/b10-5-
InChIKeyBSWIBSQXZBEMOG-YHYXMXQVSA-N
XLogP3.71
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
CID 16866743
3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
(E)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 11223344
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2826371
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]prop-2-enamide
CID 46590061
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7762009
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-prop-2-enylacetamide
CID 16879106

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 16867162) is (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1ccc(-c2cc(CNC(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)no2)cc1.
What is the InChIKey of (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is BSWIBSQXZBEMOG-YHYXMXQVSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-27-18-8-6-16(7-9-18)19-13-17(25-31-19)14-24-22(26)10-5-15-11-20(28-2)23(30-4)21(12-15)29-3/h5-13H,14H2,1-4H3,(H,24,26)/b10-5-.
What are the key properties of (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 424.45 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 16867162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).