3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide

C19H20N3O5+ — CID 53289870

IUPAC3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide
SMILESCOc1ccc(-[n+]2[nH]oc(=O)c2CN(C)C(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19N3O5/c1-21(18(23)13-5-4-6-16(11-13)26-3)12-17-19(24)27-20-22(17)14-7-9-15(25-2)10-8-14/h4-11H,12H2,1-3H3/p+1
InChIKeyJDZDOFTYMBSLHU-UHFFFAOYSA-O
MW370.39 g/mol
LogP1.53
Rot. Bonds6

About 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide

3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide (PubChem CID 53289870) has the molecular formula C19H20N3O5+ and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide
PubChem CID53289870
Molecular FormulaC19H20N3O5+
Molecular Weight370.39 g/mol
Exact Mass370.14
IUPAC Name3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide
SMILESCOc1ccc(-[n+]2[nH]oc(=O)c2CN(C)C(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19N3O5/c1-21(18(23)13-5-4-6-16(11-13)26-3)12-17-19(24)27-20-22(17)14-7-9-15(25-2)10-8-14/h4-11H,12H2,1-3H3/p+1
InChIKeyJDZDOFTYMBSLHU-UHFFFAOYSA-O
XLogP1.53
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide
CID 53289812
2-(4-methoxy-N-[2-[methyl-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]amino]-2-oxoethyl]anilino)acetic acid
CID 53277596
N-cyclopropyl-4-fluoro-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]benzamide
CID 53289962
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
1-benzyl-3-ethyl-1-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]thiourea
CID 53289533
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511572
1-(2-hydroxyethyl)-1-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-3-methylthiourea
CID 53289507
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
1-(2-hydroxyethyl)-1-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-3-phenylthiourea
CID 53277673
N,N-dihydroxy-3-methoxybenzamide
CID 91426750

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide (CID 53289870) is 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide is COc1ccc(-[n+]2[nH]oc(=O)c2CN(C)C(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide?
The InChIKey is JDZDOFTYMBSLHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N3O5/c1-21(18(23)13-5-4-6-16(11-13)26-3)12-17-19(24)27-20-22(17)14-7-9-15(25-2)10-8-14/h4-11H,12H2,1-3H3/p+1.
What are the key properties of 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide?
3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide has a molecular weight of 370.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 53289870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).