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

C17H16N4O3 — CID 110320666

IUPAC4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H16N4O3/c1-23-14-6-4-12(5-7-14)16(22)19-10-8-15-20-21-17(24-15)13-3-2-9-18-11-13/h2-7,9,11H,8,10H2,1H3,(H,19,22)
InChIKeyXCOGYMHZWIEFKS-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.11
Rot. Bonds6

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

4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 110320666) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID110320666
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C17H16N4O3/c1-23-14-6-4-12(5-7-14)16(22)19-10-8-15-20-21-17(24-15)13-3-2-9-18-11-13/h2-7,9,11H,8,10H2,1H3,(H,19,22)
InChIKeyXCOGYMHZWIEFKS-UHFFFAOYSA-N
XLogP2.11
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321928
3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819
4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321827
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110320653
3,4-difluoro-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321955
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110321850
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
CID 110321810
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 110320666) is 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is XCOGYMHZWIEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-6-4-12(5-7-14)16(22)19-10-8-15-20-21-17(24-15)13-3-2-9-18-11-13/h2-7,9,11H,8,10H2,1H3,(H,19,22).
What are the key properties of 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110320666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).