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

C15H18ClFN4O2 — CID 119342761

IUPACN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCN1)c1nc(-c2cccc(F)c2)no1.Cl
InChIInChI=1S/C15H17FN4O2.ClH/c1-9(18-14(21)12-6-3-7-17-12)15-19-13(20-22-15)10-4-2-5-11(16)8-10;/h2,4-5,8-9,12,17H,3,6-7H2,1H3,(H,18,21);1H
InChIKeyJWJKZGVCXZKRMJ-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.23
Rot. Bonds4

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

N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119342761) has the molecular formula C15H18ClFN4O2 and a molecular weight of 340.79 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119342761
Molecular FormulaC15H18ClFN4O2
Molecular Weight340.79 g/mol
Exact Mass340.11
IUPAC NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCN1)c1nc(-c2cccc(F)c2)no1.Cl
InChIInChI=1S/C15H17FN4O2.ClH/c1-9(18-14(21)12-6-3-7-17-12)15-19-13(20-22-15)10-4-2-5-11(16)8-10;/h2,4-5,8-9,12,17H,3,6-7H2,1H3,(H,18,21);1H
InChIKeyJWJKZGVCXZKRMJ-UHFFFAOYSA-N
XLogP2.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673982
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119817198
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310286
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46128965
1-[(4-cyclopropylphenyl)methyl]-3-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 119047290
N-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635714
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638322
4-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 120563931
(4R)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 97089592
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119342761) is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is CC(NC(=O)C1CCCN1)c1nc(-c2cccc(F)c2)no1.Cl.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is JWJKZGVCXZKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2.ClH/c1-9(18-14(21)12-6-3-7-17-12)15-19-13(20-22-15)10-4-2-5-11(16)8-10;/h2,4-5,8-9,12,17H,3,6-7H2,1H3,(H,18,21);1H.
What are the key properties of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 340.79 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119342761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).