N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide

C20H15N3O6 — CID 16854172

IUPACN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)c1
InChIInChI=1S/C20H15N3O6/c1-26-12-7-8-16(27-2)13(10-12)18-22-23-20(29-18)21-17(24)14-9-11-5-3-4-6-15(11)28-19(14)25/h3-10H,1-2H3,(H,21,23,24)
InChIKeyUJAAGDLZUJRSIE-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.11
Rot. Bonds5

About N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide

N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide (PubChem CID 16854172) has the molecular formula C20H15N3O6 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
PubChem CID16854172
Molecular FormulaC20H15N3O6
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC NameN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)c1
InChIInChI=1S/C20H15N3O6/c1-26-12-7-8-16(27-2)13(10-12)18-22-23-20(29-18)21-17(24)14-9-11-5-3-4-6-15(11)28-19(14)25/h3-10H,1-2H3,(H,21,23,24)
InChIKeyUJAAGDLZUJRSIE-UHFFFAOYSA-N
XLogP3.11
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 4149199
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110507
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
CID 7578257
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43972172
2,5-dimethoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16848805
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
3-methoxy-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
CID 3429166
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43973071
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide (CID 16854172) is N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide is COc1ccc(OC)c(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
The InChIKey is UJAAGDLZUJRSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O6/c1-26-12-7-8-16(27-2)13(10-12)18-22-23-20(29-18)21-17(24)14-9-11-5-3-4-6-15(11)28-19(14)25/h3-10H,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide has a molecular weight of 393.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16854172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).