3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

C19H23N3O4 — CID 31164348

IUPAC3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCc1nc(C2(NC(=O)CCc3ccc4c(c3)OCO4)CCCCC2)no1
InChIInChI=1S/C19H23N3O4/c1-13-20-18(22-26-13)19(9-3-2-4-10-19)21-17(23)8-6-14-5-7-15-16(11-14)25-12-24-15/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,21,23)
InChIKeyZAAJFPKRJRAIIX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.02
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (PubChem CID 31164348) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
PubChem CID31164348
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
SMILESCc1nc(C2(NC(=O)CCc3ccc4c(c3)OCO4)CCCCC2)no1
InChIInChI=1S/C19H23N3O4/c1-13-20-18(22-26-13)19(9-3-2-4-10-19)21-17(23)8-6-14-5-7-15-16(11-14)25-12-24-15/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,21,23)
InChIKeyZAAJFPKRJRAIIX-UHFFFAOYSA-N
XLogP3.02
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 38937786
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 60514358
3-(1H-indol-3-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 71943405
1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
CID 55672487
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-oxobutanamide
CID 56583039
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55980725
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 56548991
3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 55528188
4-(1,3-benzothiazol-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
CID 55672594
4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
CID 55972300
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71968872

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide (CID 31164348) is 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is Cc1nc(C2(NC(=O)CCc3ccc4c(c3)OCO4)CCCCC2)no1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
The InChIKey is ZAAJFPKRJRAIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-20-18(22-26-13)19(9-3-2-4-10-19)21-17(23)8-6-14-5-7-15-16(11-14)25-12-24-15/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,21,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide is sourced from PubChem (CID 31164348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).