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

C15H19ClN4O3 — CID 120836353

IUPACN-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc(COc2ccccc2)no1)C1CCCN1
InChIInChI=1S/C15H18N4O3.ClH/c20-15(12-7-4-8-16-12)17-9-14-18-13(19-22-14)10-21-11-5-2-1-3-6-11;/h1-3,5-6,12,16H,4,7-10H2,(H,17,20);1H
InChIKeyNVVWKSDFVKWUJG-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.44
Rot. Bonds6

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

N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120836353) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120836353
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC NameN-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc(COc2ccccc2)no1)C1CCCN1
InChIInChI=1S/C15H18N4O3.ClH/c20-15(12-7-4-8-16-12)17-9-14-18-13(19-22-14)10-21-11-5-2-1-3-6-11;/h1-3,5-6,12,16H,4,7-10H2,(H,17,20);1H
InChIKeyNVVWKSDFVKWUJG-UHFFFAOYSA-N
XLogP1.44
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120893632
N-[[3-(2-anilino-2-oxoethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120838595
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837799
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119323633
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120836094
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120837950
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 126777122
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-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120836353) is N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1nc(COc2ccccc2)no1)C1CCCN1.
What is the InChIKey of N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is NVVWKSDFVKWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.ClH/c20-15(12-7-4-8-16-12)17-9-14-18-13(19-22-14)10-21-11-5-2-1-3-6-11;/h1-3,5-6,12,16H,4,7-10H2,(H,17,20);1H.
What are the key properties of N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120836353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).