5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide

C13H14ClN3O2 — CID 110391269

IUPAC5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClN3O2/c1-3-17(4-2)13(18)12-16-15-11(19-12)9-7-5-6-8-10(9)14/h5-8H,3-4H2,1-2H3
InChIKeyKGMAMQOGXHWRRU-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.87
Rot. Bonds4

About 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide

5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391269) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391269
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(CC)C(=O)c1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClN3O2/c1-3-17(4-2)13(18)12-16-15-11(19-12)9-7-5-6-8-10(9)14/h5-8H,3-4H2,1-2H3
InChIKeyKGMAMQOGXHWRRU-UHFFFAOYSA-N
XLogP2.87
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 23358700
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3895358
5-(2-chlorophenyl)-N-pentyl-1,3,4-oxadiazole-2-carboxamide
CID 110391277
N,N-diethyl-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391105
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
5-(2-chlorophenyl)-N-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391288
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391348
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
CID 110321568
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[2-(diethylamino)-2-oxoethyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 48503696

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide (CID 110391269) is 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide is CCN(CC)C(=O)c1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is KGMAMQOGXHWRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-17(4-2)13(18)12-16-15-11(19-12)9-7-5-6-8-10(9)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide?
5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N,N-diethyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).