3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide

C19H27N3O3 — CID 136587710

IUPAC3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide
SMILESO=C(CCc1nnc(C2CCCC2)o1)NC[C@]12C[C@H]1COC21CCC1
InChIInChI=1S/C19H27N3O3/c23-15(6-7-16-21-22-17(25-16)13-4-1-2-5-13)20-12-18-10-14(18)11-24-19(18)8-3-9-19/h13-14H,1-12H2,(H,20,23)/t14-,18+/m0/s1
InChIKeyQZDJDNNBXHIDEK-KBXCAEBGSA-N
MW345.44 g/mol
LogP2.74
Rot. Bonds6

About 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide

3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide (PubChem CID 136587710) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide
PubChem CID136587710
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide
SMILESO=C(CCc1nnc(C2CCCC2)o1)NC[C@]12C[C@H]1COC21CCC1
InChIInChI=1S/C19H27N3O3/c23-15(6-7-16-21-22-17(25-16)13-4-1-2-5-13)20-12-18-10-14(18)11-24-19(18)8-3-9-19/h13-14H,1-12H2,(H,20,23)/t14-,18+/m0/s1
InChIKeyQZDJDNNBXHIDEK-KBXCAEBGSA-N
XLogP2.74
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide (CID 136587710) is 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide is O=C(CCc1nnc(C2CCCC2)o1)NC[C@]12C[C@H]1COC21CCC1.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide?
The InChIKey is QZDJDNNBXHIDEK-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-15(6-7-16-21-22-17(25-16)13-4-1-2-5-13)20-12-18-10-14(18)11-24-19(18)8-3-9-19/h13-14H,1-12H2,(H,20,23)/t14-,18+/m0/s1.
What are the key properties of 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide?
3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-N-[[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]methyl]propanamide is sourced from PubChem (CID 136587710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).