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

C18H18N4O5 — CID 110318833

IUPAC3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nnc(-c3ccncc3)o2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O5/c1-24-13-8-12(9-14(25-2)16(13)26-3)17(23)20-10-15-21-22-18(27-15)11-4-6-19-7-5-11/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyUIIBHYXRXSVXAG-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.09
Rot. Bonds7

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

3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110318833) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110318833
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nnc(-c3ccncc3)o2)cc(OC)c1OC
InChIInChI=1S/C18H18N4O5/c1-24-13-8-12(9-14(25-2)16(13)26-3)17(23)20-10-15-21-22-18(27-15)11-4-6-19-7-5-11/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyUIIBHYXRXSVXAG-UHFFFAOYSA-N
XLogP2.09
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368276
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497
N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
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3,5-dimethoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318682
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330528
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methoxybenzamide
CID 110319111
2,6-dimethoxy-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
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3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 4220668
3,6-dichloro-2-methoxy-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319582
2-methoxy-4,5-dimethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318910

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110318833) is 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1cc(C(=O)NCc2nnc(-c3ccncc3)o2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is UIIBHYXRXSVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-24-13-8-12(9-14(25-2)16(13)26-3)17(23)20-10-15-21-22-18(27-15)11-4-6-19-7-5-11/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 370.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110318833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).