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

C17H22N4O2 — CID 119317579

IUPACN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)C3CCCN3)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-2-15-20-17(23-21-15)13-7-5-12(6-8-13)9-11-19-16(22)14-4-3-10-18-14/h5-8,14,18H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyKHEQTVRQBXDZAF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.71
Rot. Bonds6

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

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 119317579) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID119317579
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)C3CCCN3)cc2)n1
InChIInChI=1S/C17H22N4O2/c1-2-15-20-17(23-21-15)13-7-5-12(6-8-13)9-11-19-16(22)14-4-3-10-18-14/h5-8,14,18H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyKHEQTVRQBXDZAF-UHFFFAOYSA-N
XLogP1.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 119317591
9-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988914
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120792048
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
3-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317568
(3R,4S)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120930962
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylpentanamide
CID 119773286
1-(cyclopropylmethyl)-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111868178
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166625589
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111100341

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 119317579) is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is CCc1noc(-c2ccc(CCNC(=O)C3CCCN3)cc2)n1.
What is the InChIKey of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KHEQTVRQBXDZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-15-20-17(23-21-15)13-7-5-12(6-8-13)9-11-19-16(22)14-4-3-10-18-14/h5-8,14,18H,2-4,9-11H2,1H3,(H,19,22).
What are the key properties of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119317579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).