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

C12H12ClN3O2 — CID 5308560

IUPAC5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)C(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClN3O2/c1-16(2)12(17)11-15-14-10(18-11)7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3
InChIKeyFTTLHZLLAYGGPK-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.02
Rot. Bonds3

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

5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 5308560) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID5308560
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)C(=O)c1nnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClN3O2/c1-16(2)12(17)11-15-14-10(18-11)7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3
InChIKeyFTTLHZLLAYGGPK-UHFFFAOYSA-N
XLogP2.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431487
5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82128802
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
5-[(4-tert-butylphenyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82132783
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22432031
S-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl] 2-(4-chlorophenyl)ethanethioate
CID 126395022
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431523
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431580
5-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
N-[2-(4-chlorophenyl)ethyl]-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7800729
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide (CID 5308560) is 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide is CN(C)C(=O)c1nnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is FTTLHZLLAYGGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16(2)12(17)11-15-14-10(18-11)7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide?
5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N,N-dimethyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 5308560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).