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

C18H18N4O3 — CID 110330378

IUPACN-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H18N4O3/c1-24-15-7-3-2-5-13(15)12-20-16(23)8-9-17-21-22-18(25-17)14-6-4-10-19-11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)
InChIKeyURMOOZYPRVZACW-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.39
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330378) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330378
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H18N4O3/c1-24-15-7-3-2-5-13(15)12-20-16(23)8-9-17-21-22-18(25-17)14-6-4-10-19-11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,23)
InChIKeyURMOOZYPRVZACW-UHFFFAOYSA-N
XLogP2.39
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110334614
N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330385
2-phenoxy-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318698
N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330424
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330528
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330378) is N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is COc1ccccc1CNC(=O)CCc1nnc(-c2cccnc2)o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is URMOOZYPRVZACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-15-7-3-2-5-13(15)12-20-16(23)8-9-17-21-22-18(25-17)14-6-4-10-19-11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).