methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate

C12H20N2O3 — CID 58499255

IUPACmethyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
SMILESCOC(=O)CC(c1nnc(C(C)C)o1)C(C)C
InChIInChI=1S/C12H20N2O3/c1-7(2)9(6-10(15)16-5)12-14-13-11(17-12)8(3)4/h7-9H,6H2,1-5H3
InChIKeyYYZRXBVGLNNDTQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.50
Rot. Bonds5

About methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate

methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate (PubChem CID 58499255) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
PubChem CID58499255
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
SMILESCOC(=O)CC(c1nnc(C(C)C)o1)C(C)C
InChIInChI=1S/C12H20N2O3/c1-7(2)9(6-10(15)16-5)12-14-13-11(17-12)8(3)4/h7-9H,6H2,1-5H3
InChIKeyYYZRXBVGLNNDTQ-UHFFFAOYSA-N
XLogP2.50
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The IUPAC name of methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate (CID 58499255) is methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate.
What is the SMILES notation for methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The canonical SMILES for methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate is COC(=O)CC(c1nnc(C(C)C)o1)C(C)C.
What is the InChIKey of methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
The InChIKey is YYZRXBVGLNNDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7(2)9(6-10(15)16-5)12-14-13-11(17-12)8(3)4/h7-9H,6H2,1-5H3.
What are the key properties of methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate?
methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate has a molecular weight of 240.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pentanoate is sourced from PubChem (CID 58499255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).