bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone

C7H6N4O3 — CID 90843715

IUPACbis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
SMILESCc1nc(C(=O)c2noc(C)n2)no1
InChIInChI=1S/C7H6N4O3/c1-3-8-6(10-13-3)5(12)7-9-4(2)14-11-7/h1-2H3
InChIKeyWEDNKWJZJAQKBV-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.30
Rot. Bonds2

About bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone

bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 90843715) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Namebis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID90843715
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Namebis(5-methyl-1,2,4-oxadiazol-3-yl)methanone
SMILESCc1nc(C(=O)c2noc(C)n2)no1
InChIInChI=1S/C7H6N4O3/c1-3-8-6(10-13-3)5(12)7-9-4(2)14-11-7/h1-2H3
InChIKeyWEDNKWJZJAQKBV-UHFFFAOYSA-N
XLogP0.30
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

lithium 5-methyl-1,2,4-oxadiazole-3-carboxylate
CID 134690810
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-one
CID 142391615
3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
CID 123960870
(5-methyl-1,2,4-oxadiazol-3-yl)-(3-nitrophenyl)methanone
CID 24766083
N,N-dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethenamine
CID 123763792
1-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65452844
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 65191352
N-(3,3-dichlorocyclobutyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 167767532
N-(4-aminocyclohexyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
CID 79121057
2-ethyl-2-[[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]butanoic acid
CID 115429755
2-hydroxy-4-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107832050
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
CID 79653066

Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone (CID 90843715) is bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone is Cc1nc(C(=O)c2noc(C)n2)no1.
What is the InChIKey of bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is WEDNKWJZJAQKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-3-8-6(10-13-3)5(12)7-9-4(2)14-11-7/h1-2H3.
What are the key properties of bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone?
bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 194.15 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 90843715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).