N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide

C19H23N3O4 — CID 42511259

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(C2CCCCC2)o1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N3O4/c23-17(20-11-13-6-7-15-16(10-13)25-12-24-15)8-9-18-21-22-19(26-18)14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11-12H2,(H,20,23)
InChIKeyMMGBAHZCEQLEIL-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.10
Rot. Bonds6

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

N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 42511259) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID42511259
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(C2CCCCC2)o1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N3O4/c23-17(20-11-13-6-7-15-16(10-13)25-12-24-15)8-9-18-21-22-19(26-18)14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11-12H2,(H,20,23)
InChIKeyMMGBAHZCEQLEIL-UHFFFAOYSA-N
XLogP3.10
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 126236174
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 21373823
3-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 25295476
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 27658957
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17440928
3-(1,3-benzodioxol-5-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide
CID 47015276
N-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dichlorophenyl)butanamide
CID 55833674

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide (CID 42511259) is N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(C2CCCCC2)o1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is MMGBAHZCEQLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17(20-11-13-6-7-15-16(10-13)25-12-24-15)8-9-18-21-22-19(26-18)14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11-12H2,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 42511259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).