N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide

C17H16N4O3 — CID 42581632

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H16N4O3/c1-23-14-8-3-2-6-12(14)9-11-19-16(22)17-20-15(21-24-17)13-7-4-5-10-18-13/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyRESOYGGVHUIBQB-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42581632) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42581632
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H16N4O3/c1-23-14-8-3-2-6-12(14)9-11-19-16(22)17-20-15(21-24-17)13-7-4-5-10-18-13/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyRESOYGGVHUIBQB-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-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569058
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
CID 66703190
5-hydroxy-N-[2-(2-methoxyphenyl)ethyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136599306
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111766049
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
6-bromo-N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261404
3-[(4-iodopyrazol-1-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082998

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 42581632) is N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide is COc1ccccc1CCNC(=O)c1nc(-c2ccccn2)no1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RESOYGGVHUIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-14-8-3-2-6-12(14)9-11-19-16(22)17-20-15(21-24-17)13-7-4-5-10-18-13/h2-8,10H,9,11H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide 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 N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42581632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).