N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide

C16H19ClN4O3 — CID 122572561

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2Cl)no1)N1CCCCC1CO
InChIInChI=1S/C16H19ClN4O3/c17-13-7-2-1-6-12(13)15-19-14(24-20-15)9-18-16(23)21-8-4-3-5-11(21)10-22/h1-2,6-7,11,22H,3-5,8-10H2,(H,18,23)
InChIKeyBLSWFGFEKIMOMN-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.45
Rot. Bonds4

About N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 122572561) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID122572561
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2Cl)no1)N1CCCCC1CO
InChIInChI=1S/C16H19ClN4O3/c17-13-7-2-1-6-12(13)15-19-14(24-20-15)9-18-16(23)21-8-4-3-5-11(21)10-22/h1-2,6-7,11,22H,3-5,8-10H2,(H,18,23)
InChIKeyBLSWFGFEKIMOMN-UHFFFAOYSA-N
XLogP2.45
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682908
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133187913
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99955993
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38154883
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 43927924
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541544
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxypiperidine-1-sulfonamide
CID 131912670
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(1,3-dimethylpyrrolidin-3-yl)methyl]-1-methylurea
CID 122566756
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62371397

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide (CID 122572561) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1nc(-c2ccccc2Cl)no1)N1CCCCC1CO.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is BLSWFGFEKIMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c17-13-7-2-1-6-12(13)15-19-14(24-20-15)9-18-16(23)21-8-4-3-5-11(21)10-22/h1-2,6-7,11,22H,3-5,8-10H2,(H,18,23).
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122572561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).