methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate

C16H27N3O3 — CID 47081535

IUPACmethyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate
SMILESCOC(=O)CCN(Cc1nnc(C(C)(C)C)o1)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)15-18-17-13(22-15)11-19(10-9-14(20)21-4)12-7-5-6-8-12/h12H,5-11H2,1-4H3
InChIKeyPAUAFWMWTYVNBV-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.67
Rot. Bonds6

About methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate

methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate (PubChem CID 47081535) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate
PubChem CID47081535
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Namemethyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate
SMILESCOC(=O)CCN(Cc1nnc(C(C)(C)C)o1)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)15-18-17-13(22-15)11-19(10-9-14(20)21-4)12-7-5-6-8-12/h12H,5-11H2,1-4H3
InChIKeyPAUAFWMWTYVNBV-UHFFFAOYSA-N
XLogP2.67
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate?
The IUPAC name of methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate (CID 47081535) is methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate.
What is the SMILES notation for methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate?
The canonical SMILES for methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate is COC(=O)CCN(Cc1nnc(C(C)(C)C)o1)C1CCCC1.
What is the InChIKey of methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate?
The InChIKey is PAUAFWMWTYVNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-16(2,3)15-18-17-13(22-15)11-19(10-9-14(20)21-4)12-7-5-6-8-12/h12H,5-11H2,1-4H3.
What are the key properties of methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate?
methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate has a molecular weight of 309.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-cyclopentylamino]propanoate is sourced from PubChem (CID 47081535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).