5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C15H19ClN4O3 — CID 91836949

IUPAC5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(CCCO)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN4O3/c1-17-15(22)14-18-13(23-19-14)10-20(7-2-8-21)9-11-3-5-12(16)6-4-11/h3-6,21H,2,7-10H2,1H3,(H,17,22)
InChIKeyZBUQCAPABWWSOU-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.47
Rot. Bonds8

About 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 91836949) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID91836949
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CN(CCCO)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H19ClN4O3/c1-17-15(22)14-18-13(23-19-14)10-20(7-2-8-21)9-11-3-5-12(16)6-4-11/h3-6,21H,2,7-10H2,1H3,(H,17,22)
InChIKeyZBUQCAPABWWSOU-UHFFFAOYSA-N
XLogP1.47
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
CID 110908434
2-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 42287027
5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118768339
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 91777284
3-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 34911157
1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 126448790
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 42829332
N'-[(4-chlorophenyl)methyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;oxalic acid
CID 2845951
5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 124847174
4-[[(3-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]benzoic acid
CID 122029435

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 91836949) is 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CN(CCCO)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZBUQCAPABWWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-17-15(22)14-18-13(23-19-14)10-20(7-2-8-21)9-11-3-5-12(16)6-4-11/h3-6,21H,2,7-10H2,1H3,(H,17,22).
What are the key properties of 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 91836949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).