N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

C16H21ClN4O3 — CID 119817239

IUPACN-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1noc(C(C)NC(=O)C2CCNC2)n1.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-10(18-15(21)11-7-8-17-9-11)16-19-14(20-23-16)12-5-3-4-6-13(12)22-2;/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,21);1H
InChIKeyMMAHCOHGCGZBGD-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.95
Rot. Bonds5

About N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119817239) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119817239
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC NameN-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1-c1noc(C(C)NC(=O)C2CCNC2)n1.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-10(18-15(21)11-7-8-17-9-11)16-19-14(20-23-16)12-5-3-4-6-13(12)22-2;/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,21);1H
InChIKeyMMAHCOHGCGZBGD-UHFFFAOYSA-N
XLogP1.95
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449613
(2R,3S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120936859
(3R,4S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936862
1-cyclopropyl-3-[(1R)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylurea
CID 96566034
(3R,4S)-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936863
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 124886787
1-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 124886793
(2S)-2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 119817224
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101380
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
2-amino-N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119342802
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 119344384

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119817239) is N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccccc1-c1noc(C(C)NC(=O)C2CCNC2)n1.Cl.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MMAHCOHGCGZBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.ClH/c1-10(18-15(21)11-7-8-17-9-11)16-19-14(20-23-16)12-5-3-4-6-13(12)22-2;/h3-6,10-11,17H,7-9H2,1-2H3,(H,18,21);1H.
What are the key properties of N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).