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

C15H18Cl2N4O3 — CID 119787986

IUPACN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nc(-c2cccc(Cl)c2)no1)C1CC(O)CN1
InChIInChI=1S/C15H17ClN4O3.ClH/c16-10-3-1-2-9(6-10)14-19-13(23-20-14)4-5-17-15(22)12-7-11(21)8-18-12;/h1-3,6,11-12,18,21H,4-5,7-8H2,(H,17,22);1H
InChIKeyQZLRLLUYIRRYAC-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.19
Rot. Bonds5

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

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119787986) has the molecular formula C15H18Cl2N4O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119787986
Molecular FormulaC15H18Cl2N4O3
Molecular Weight373.24 g/mol
Exact Mass372.08
IUPAC NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nc(-c2cccc(Cl)c2)no1)C1CC(O)CN1
InChIInChI=1S/C15H17ClN4O3.ClH/c16-10-3-1-2-9(6-10)14-19-13(23-20-14)4-5-17-15(22)12-7-11(21)8-18-12;/h1-3,6,11-12,18,21H,4-5,7-8H2,(H,17,22);1H
InChIKeyQZLRLLUYIRRYAC-UHFFFAOYSA-N
XLogP1.19
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326179
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119326195
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119326205
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119326198
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 95627860

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119787986) is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1nc(-c2cccc(Cl)c2)no1)C1CC(O)CN1.
What is the InChIKey of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QZLRLLUYIRRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3.ClH/c16-10-3-1-2-9(6-10)14-19-13(23-20-14)4-5-17-15(22)12-7-11(21)8-18-12;/h1-3,6,11-12,18,21H,4-5,7-8H2,(H,17,22);1H.
What are the key properties of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 373.24 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119787986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).