N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

C9H12N6O3 — CID 100630791

IUPACN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2nc(N(C)C)no2)no1
InChIInChI=1S/C9H12N6O3/c1-5-11-7(13-17-5)8(16)10-4-6-12-9(14-18-6)15(2)3/h4H2,1-3H3,(H,10,16)
InChIKeyLKFKQORXTKVYKX-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.24
Rot. Bonds4

About N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 100630791) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID100630791
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC NameN-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2nc(N(C)C)no2)no1
InChIInChI=1S/C9H12N6O3/c1-5-11-7(13-17-5)8(16)10-4-6-12-9(14-18-6)15(2)3/h4H2,1-3H3,(H,10,16)
InChIKeyLKFKQORXTKVYKX-UHFFFAOYSA-N
XLogP-0.24
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 100630791) is N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)NCc2nc(N(C)C)no2)no1.
What is the InChIKey of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LKFKQORXTKVYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-5-11-7(13-17-5)8(16)10-4-6-12-9(14-18-6)15(2)3/h4H2,1-3H3,(H,10,16).
What are the key properties of N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 252.23 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 100630791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).