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

C15H18Cl2N4O2 — CID 120841331

IUPACN-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc(Cc2ccc(Cl)cc2)no1)C1CCCN1
InChIInChI=1S/C15H17ClN4O2.ClH/c16-11-5-3-10(4-6-11)8-13-19-14(22-20-13)9-18-15(21)12-2-1-7-17-12;/h3-6,12,17H,1-2,7-9H2,(H,18,21);1H
InChIKeyYTHUMXCDUFUYBK-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.10
Rot. Bonds5

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

N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120841331) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120841331
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC NameN-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc(Cc2ccc(Cl)cc2)no1)C1CCCN1
InChIInChI=1S/C15H17ClN4O2.ClH/c16-11-5-3-10(4-6-11)8-13-19-14(22-20-13)9-18-15(21)12-2-1-7-17-12;/h3-6,12,17H,1-2,7-9H2,(H,18,21);1H
InChIKeyYTHUMXCDUFUYBK-UHFFFAOYSA-N
XLogP2.10
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836353
N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120838595
2-amino-N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841335
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119342019
N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120893632
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 144982115
N-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841285

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120841331) is N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1nc(Cc2ccc(Cl)cc2)no1)C1CCCN1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YTHUMXCDUFUYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2.ClH/c16-11-5-3-10(4-6-11)8-13-19-14(22-20-13)9-18-15(21)12-2-1-7-17-12;/h3-6,12,17H,1-2,7-9H2,(H,18,21);1H.
What are the key properties of N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 357.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120841331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).