3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C17H16N4O4 — CID 110318682

IUPAC3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C17H16N4O4/c1-23-13-6-12(7-14(8-13)24-2)16(22)19-10-15-20-21-17(25-15)11-4-3-5-18-9-11/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyKLRAZCHTNIDPQB-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.08
Rot. Bonds6

About 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110318682) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110318682
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C17H16N4O4/c1-23-13-6-12(7-14(8-13)24-2)16(22)19-10-15-20-21-17(25-15)11-4-3-5-18-9-11/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyKLRAZCHTNIDPQB-UHFFFAOYSA-N
XLogP2.08
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320666
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320005
2-(4-methylphenoxy)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318717
3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318833
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 110652765
2-(3-methoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25054364
3,4-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318763
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110318682) is 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is KLRAZCHTNIDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-23-13-6-12(7-14(8-13)24-2)16(22)19-10-15-20-21-17(25-15)11-4-3-5-18-9-11/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 340.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110318682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).