methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate

C14H20N2O3 — CID 112618885

IUPACmethyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C2CCC3CCCCC3C2)o1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)13-16-15-12(19-13)11-7-6-9-4-2-3-5-10(9)8-11/h9-11H,2-8H2,1H3
InChIKeyGMBVCUFFKWMURK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.93
Rot. Bonds2

About methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate

methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112618885) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112618885
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C2CCC3CCCCC3C2)o1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)13-16-15-12(19-13)11-7-6-9-4-2-3-5-10(9)8-11/h9-11H,2-8H2,1H3
InChIKeyGMBVCUFFKWMURK-UHFFFAOYSA-N
XLogP2.93
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate (CID 112618885) is methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(C2CCC3CCCCC3C2)o1.
What is the InChIKey of methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is GMBVCUFFKWMURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(17)13-16-15-12(19-13)11-7-6-9-4-2-3-5-10(9)8-11/h9-11H,2-8H2,1H3.
What are the key properties of methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate?
methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112618885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).