2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide

C17H17N3O2 — CID 59956654

IUPAC2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCC1(C)OC(c2ccccc2)=NN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(2)20(16(21)18-14-11-7-4-8-12-14)19-15(22-17)13-9-5-3-6-10-13/h3-12H,1-2H3,(H,18,21)
InChIKeyNDEQFUCRTXZULM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.65
Rot. Bonds2

About 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide

2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide (PubChem CID 59956654) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
PubChem CID59956654
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide
SMILESCC1(C)OC(c2ccccc2)=NN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-17(2)20(16(21)18-14-11-7-4-8-12-14)19-15(22-17)13-9-5-3-6-10-13/h3-12H,1-2H3,(H,18,21)
InChIKeyNDEQFUCRTXZULM-UHFFFAOYSA-N
XLogP3.65
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenyl-1,3,4-oxadiazol-2(3H)-one
CID 12412581
2-(3-acetyl-2-methyl-5-phenyl-1,3,4-oxadiazol-2-yl)-N-phenylacetamide
CID 4420636
5-(4-methylphenyl)-3-{[(4-methylphenyl)amino]methyl}-1,3,4-oxadiazole-2(3H)-thione
CID 694207
3-(Anilinomethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione
CID 12929477
5-Phenyl-3-[(phenylamino)methyl]-1,3,4-oxadiazoline-2-thione
CID 816363
3-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazol-2-one
CID 85831350
5-(4-chlorophenyl)-2-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-3-carboxamide
CID 59956651
2-Phenyl-4-methyl-5-methylphenylaminooxazole
CID 129809101
[5-Methyl-2,3-bis(4-methylphenyl)-1,3,4-oxadiazol-2-yl]cyanamide
CID 134840261
5-methyl-N,3-diphenyl-2,6,7,8-tetrahydrocyclopenta[e][1,3,4]oxadiazepin-3-amine
CID 139237691
5-methyl-N-(4-methylphenyl)-3-phenyl-2,6,7,8-tetrahydrocyclopenta[e][1,3,4]oxadiazepin-3-amine
CID 139237692
N-{4-[4-acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 22576939

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The IUPAC name of 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide (CID 59956654) is 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide is CC1(C)OC(c2ccccc2)=NN1C(=O)Nc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
The InChIKey is NDEQFUCRTXZULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(2)20(16(21)18-14-11-7-4-8-12-14)19-15(22-17)13-9-5-3-6-10-13/h3-12H,1-2H3,(H,18,21).
What are the key properties of 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide?
2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,5-diphenyl-1,3,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 59956654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).