5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole

C8H10N2O2 — CID 131114238

IUPAC5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2=COCCC2)n1
InChIInChI=1S/C8H10N2O2/c1-6-9-8(12-10-6)7-3-2-4-11-5-7/h5H,2-4H2,1H3
InChIKeyUDCYCPJPXDQZPP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.53
Rot. Bonds1

About 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole

5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 131114238) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID131114238
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2=COCCC2)n1
InChIInChI=1S/C8H10N2O2/c1-6-9-8(12-10-6)7-3-2-4-11-5-7/h5H,2-4H2,1H3
InChIKeyUDCYCPJPXDQZPP-UHFFFAOYSA-N
XLogP1.53
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 143054135
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CID 52903741
3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 131159756
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
1-N-cyclohexyl-2-N-cyclopentyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexa-2,4-diene-1,2-diamine
CID 146637112
5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-methyl-1,2,4-oxadiazole
CID 14898790
5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-N-propan-2-ylpyridine-2,4-diamine
CID 170305659
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
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3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole (CID 131114238) is 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2=COCCC2)n1.
What is the InChIKey of 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is UDCYCPJPXDQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-9-8(12-10-6)7-3-2-4-11-5-7/h5H,2-4H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole?
5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 166.18 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 131114238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).