methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate

C9H8N2O4 — CID 114822236

IUPACmethyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2coc(C)c2)o1
InChIInChI=1S/C9H8N2O4/c1-5-3-6(4-14-5)7-10-11-8(15-7)9(12)13-2/h3-4H,1-2H3
InChIKeyGTCMTOQWZDVADX-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.42
Rot. Bonds2

About methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate

methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 114822236) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID114822236
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Namemethyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2coc(C)c2)o1
InChIInChI=1S/C9H8N2O4/c1-5-3-6(4-14-5)7-10-11-8(15-7)9(12)13-2/h3-4H,1-2H3
InChIKeyGTCMTOQWZDVADX-UHFFFAOYSA-N
XLogP1.42
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(5-bromofuran-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 131031423
dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953751
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
methyl 5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115960711
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
dimethyl 1,3,4-oxadiazole-2,5-dicarboxylate
CID 14088399
methyl 5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538271
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105
methyl 5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619157
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
5-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 114822230
methyl 5-(2-iodo-3-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538298

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate (CID 114822236) is methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(-c2coc(C)c2)o1.
What is the InChIKey of methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is GTCMTOQWZDVADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-5-3-6(4-14-5)7-10-11-8(15-7)9(12)13-2/h3-4H,1-2H3.
What are the key properties of methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate?
methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 208.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-methylfuran-3-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 114822236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).