N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride

C15H19ClN4O3 — CID 120835126

IUPACN-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
SMILESCOc1ccccc1NC(=O)Cc1noc([C@@H]2CCNC2)n1.Cl
InChIInChI=1S/C15H18N4O3.ClH/c1-21-12-5-3-2-4-11(12)17-14(20)8-13-18-15(22-19-13)10-6-7-16-9-10;/h2-5,10,16H,6-9H2,1H3,(H,17,20);1H/t10-;/m1./s1
InChIKeyCHFSSAWPYMWMMS-HNCPQSOCSA-N
MW338.80 g/mol
LogP1.76
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride

N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride (PubChem CID 120835126) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
PubChem CID120835126
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC NameN-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
SMILESCOc1ccccc1NC(=O)Cc1noc([C@@H]2CCNC2)n1.Cl
InChIInChI=1S/C15H18N4O3.ClH/c1-21-12-5-3-2-4-11(12)17-14(20)8-13-18-15(22-19-13)10-6-7-16-9-10;/h2-5,10,16H,6-9H2,1H3,(H,17,20);1H/t10-;/m1./s1
InChIKeyCHFSSAWPYMWMMS-HNCPQSOCSA-N
XLogP1.76
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835113
2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835109
3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
CID 27535184
N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 154784542
2-(4,6-dichloro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 3618480
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
N-(2-methoxyphenyl)-2-(piperidin-4-ylmethoxy)acetamide
CID 39062990

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride (CID 120835126) is N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride is COc1ccccc1NC(=O)Cc1noc([C@@H]2CCNC2)n1.Cl.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride?
The InChIKey is CHFSSAWPYMWMMS-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H18N4O3.ClH/c1-21-12-5-3-2-4-11(12)17-14(20)8-13-18-15(22-19-13)10-6-7-16-9-10;/h2-5,10,16H,6-9H2,1H3,(H,17,20);1H/t10-;/m1./s1.
What are the key properties of N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride?
N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 120835126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).