N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C19H19N3O2 — CID 22432031

IUPACN,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nnc(Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-3-7-15(8-4-13)11-17-21-22-19(24-17)18(23)20-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyCHSKGVWVJHZHSN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds5

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

N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22432031) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID22432031
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nnc(Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-3-7-15(8-4-13)11-17-21-22-19(24-17)18(23)20-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyCHSKGVWVJHZHSN-UHFFFAOYSA-N
XLogP3.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
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-benzyl-N-propyl-1,3,4-oxadiazole-2-carboxamide
CID 110393170
5-benzyl-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393203
5-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 5307742
5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
5-benzyl-N-butyl-1,3,4-oxadiazole-2-carboxamide
CID 110393174
methyl 4-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973208
5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
CID 22431959
2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334
5-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431765
2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide
CID 110702169
N-benzyl-5-[(2,4-dichlorophenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431605

Frequently Asked Questions

What is the IUPAC name of N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 22432031) is N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(CNC(=O)c2nnc(Cc3ccc(C)cc3)o2)cc1.
What is the InChIKey of N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is CHSKGVWVJHZHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-3-7-15(8-4-13)11-17-21-22-19(24-17)18(23)20-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22432031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).