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

C15H18ClN3O3 — CID 22431946

IUPAC5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCOCCCNC(=O)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C15H18ClN3O3/c1-2-21-9-5-8-17-14(20)15-19-18-13(22-15)10-11-6-3-4-7-12(11)16/h3-4,6-7H,2,5,8-10H2,1H3,(H,17,20)
InChIKeyJEXSJLAUQQYSCO-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.47
Rot. Bonds8

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

5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431946) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431946
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCOCCCNC(=O)c1nnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C15H18ClN3O3/c1-2-21-9-5-8-17-14(20)15-19-18-13(22-15)10-11-6-3-4-7-12(11)16/h3-4,6-7H,2,5,8-10H2,1H3,(H,17,20)
InChIKeyJEXSJLAUQQYSCO-UHFFFAOYSA-N
XLogP2.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431933
5-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431940
5-[(2-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431914
5-[(2-chlorophenyl)methyl]-N-cyclooctyl-1,3,4-oxadiazole-2-carboxamide
CID 22431938
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
1-[(2-chlorophenyl)methyl]-3-(3-ethoxypropyl)thiourea
CID 113218362
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
2-[[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-N-(3-ethoxypropyl)-1,3-oxazole-4-carboxamide
CID 3436571
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide (CID 22431946) is 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide is CCOCCCNC(=O)c1nnc(Cc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JEXSJLAUQQYSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-2-21-9-5-8-17-14(20)15-19-18-13(22-15)10-11-6-3-4-7-12(11)16/h3-4,6-7H,2,5,8-10H2,1H3,(H,17,20).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide?
5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).