4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide

C16H20N6O3 — CID 46268601

IUPAC4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3nonc3N)CC2)c1C
InChIInChI=1S/C16H20N6O3/c1-10-4-3-5-12(11(10)2)18-16(24)22-8-6-21(7-9-22)15(23)13-14(17)20-25-19-13/h3-5H,6-9H2,1-2H3,(H2,17,20)(H,18,24)
InChIKeyFQMISYSSRNBOIH-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.26
Rot. Bonds2

About 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 46268601) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID46268601
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3nonc3N)CC2)c1C
InChIInChI=1S/C16H20N6O3/c1-10-4-3-5-12(11(10)2)18-16(24)22-8-6-21(7-9-22)15(23)13-14(17)20-25-19-13/h3-5H,6-9H2,1-2H3,(H2,17,20)(H,18,24)
InChIKeyFQMISYSSRNBOIH-UHFFFAOYSA-N
XLogP1.26
TPSA117.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 46268599
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
4-[3-(dimethylamino)-3-oxopropyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 71917913
ethyl 4-[4-[(2,3-dimethylphenyl)carbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113110044
4-(1,3-benzodioxol-5-yl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 113111952
N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 123680742
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazocane-1-carboxamide
CID 178156660
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
4-[bis(4-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 4988036
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 46268601) is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)c3nonc3N)CC2)c1C.
What is the InChIKey of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is FQMISYSSRNBOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-10-4-3-5-12(11(10)2)18-16(24)22-8-6-21(7-9-22)15(23)13-14(17)20-25-19-13/h3-5H,6-9H2,1-2H3,(H2,17,20)(H,18,24).
What are the key properties of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide?
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46268601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).