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

C19H20N4O4 — CID 110330528

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2nnc(-c3ccncc3)o2)cc1OC
InChIInChI=1S/C19H20N4O4/c1-25-15-4-3-13(11-16(15)26-2)12-21-17(24)5-6-18-22-23-19(27-18)14-7-9-20-10-8-14/h3-4,7-11H,5-6,12H2,1-2H3,(H,21,24)
InChIKeyIUUYRVHOQRGNJI-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.40
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330528) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330528
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2nnc(-c3ccncc3)o2)cc1OC
InChIInChI=1S/C19H20N4O4/c1-25-15-4-3-13(11-16(15)26-2)12-21-17(24)5-6-18-22-23-19(27-18)14-7-9-20-10-8-14/h3-4,7-11H,5-6,12H2,1-2H3,(H,21,24)
InChIKeyIUUYRVHOQRGNJI-UHFFFAOYSA-N
XLogP2.40
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55684452
methyl 4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzoate
CID 17423396
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330476
N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334732
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17442023
2-(3-methoxyphenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92599497
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330528) is N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is COc1ccc(CNC(=O)CCc2nnc(-c3ccncc3)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is IUUYRVHOQRGNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-15-4-3-13(11-16(15)26-2)12-21-17(24)5-6-18-22-23-19(27-18)14-7-9-20-10-8-14/h3-4,7-11H,5-6,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 368.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).