3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide

C22H21N3O4 — CID 30006017

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C22H21N3O4/c26-19(10-11-20-24-25-21(27-20)15-6-2-1-3-7-15)23-16-8-9-17-18(14-16)29-22(28-17)12-4-5-13-22/h1-3,6-9,14H,4-5,10-13H2,(H,23,26)
InChIKeyQSIMHMAMMWDZBT-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.35
Rot. Bonds5

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide (PubChem CID 30006017) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
PubChem CID30006017
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C22H21N3O4/c26-19(10-11-20-24-25-21(27-20)15-6-2-1-3-7-15)23-16-8-9-17-18(14-16)29-22(28-17)12-4-5-13-22/h1-3,6-9,14H,4-5,10-13H2,(H,23,26)
InChIKeyQSIMHMAMMWDZBT-UHFFFAOYSA-N
XLogP4.35
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 71897423
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334407
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449311
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110334555
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
CID 55925251
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 36592874

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide (CID 30006017) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide is O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The InChIKey is QSIMHMAMMWDZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-19(10-11-20-24-25-21(27-20)15-6-2-1-3-7-15)23-16-8-9-17-18(14-16)29-22(28-17)12-4-5-13-22/h1-3,6-9,14H,4-5,10-13H2,(H,23,26).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide has a molecular weight of 391.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide is sourced from PubChem (CID 30006017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).