N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide

C21H19N5O2 — CID 156584441

IUPACN,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
SMILESCN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cnc(-c2ccccc2)n1C
InChIInChI=1S/C21H19N5O2/c1-25(14-18-23-24-20(28-18)16-11-7-4-8-12-16)21(27)17-13-22-19(26(17)2)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeyKFWAVQAVEPRALZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.41
Rot. Bonds5

About N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide

N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide (PubChem CID 156584441) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
PubChem CID156584441
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide
SMILESCN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cnc(-c2ccccc2)n1C
InChIInChI=1S/C21H19N5O2/c1-25(14-18-23-24-20(28-18)16-11-7-4-8-12-16)21(27)17-13-22-19(26(17)2)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeyKFWAVQAVEPRALZ-UHFFFAOYSA-N
XLogP3.41
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-N,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
CID 156587003
5-acetyl-N,2,4-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 77080553
N,5,7-trimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77085010
N-[(5-fluoro-1H-indol-2-yl)methyl]-N,3-dimethyl-2-phenylimidazole-4-carboxamide
CID 156585037
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46979234
5-cyclohexyl-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70709269
3-(6-aminopyrazin-2-yl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 162634482
2,3,4,5,6-pentamethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555857
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 77083425
3-(4-methoxyphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 46978542

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide (CID 156584441) is N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide is CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cnc(-c2ccccc2)n1C.
What is the InChIKey of N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide?
The InChIKey is KFWAVQAVEPRALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25(14-18-23-24-20(28-18)16-11-7-4-8-12-16)21(27)17-13-22-19(26(17)2)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3.
What are the key properties of N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide?
N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 156584441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).