ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole

C10H18N2O2 — CID 144584671

IUPACethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESCC.Cc1nnc(C2CCOCC2)o1
InChIInChI=1S/C8H12N2O2.C2H6/c1-6-9-10-8(12-6)7-2-4-11-5-3-7;1-2/h7H,2-5H2,1H3;1-2H3
InChIKeyGOEMCGBFSRRWJX-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.30
Rot. Bonds1

About ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole

ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole (PubChem CID 144584671) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
PubChem CID144584671
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESCC.Cc1nnc(C2CCOCC2)o1
InChIInChI=1S/C8H12N2O2.C2H6/c1-6-9-10-8(12-6)7-2-4-11-5-3-7;1-2/h7H,2-5H2,1H3;1-2H3
InChIKeyGOEMCGBFSRRWJX-UHFFFAOYSA-N
XLogP2.30
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-5-methyl-1,3,4-oxadiazole;methanamine
CID 143346929
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;propane
CID 153404775
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110612150
2-(3,3-difluorocyclobutyl)-5-methyl-1,3,4-oxadiazole
CID 130842492
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255
methyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylate
CID 58509447
2-[(2S,6R)-2,6-dimethylpiperidin-4-yl]-5-methyl-1,3,4-oxadiazole
CID 125457953
2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
CID 110421409
trans-(1R,2R)-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]cyclohexan-1-ol
CID 95827633
N-[1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62904834
N-(methylaminomethyl)-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide
CID 163622831
2-(2-methyl-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 146568108

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole (CID 144584671) is ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole is CC.Cc1nnc(C2CCOCC2)o1.
What is the InChIKey of ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is GOEMCGBFSRRWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.C2H6/c1-6-9-10-8(12-6)7-2-4-11-5-3-7;1-2/h7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole?
ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 198.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 144584671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).