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

C15H17N3O3 — CID 4799055

IUPAC5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine
SMILESc1cc2c(cc1-c1nnc(NC3CCCCC3)o1)OCO2
InChIInChI=1S/C15H17N3O3/c1-2-4-11(5-3-1)16-15-18-17-14(21-15)10-6-7-12-13(8-10)20-9-19-12/h6-8,11H,1-5,9H2,(H,16,18)
InChIKeySYHQEASNSBBZQT-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.21
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine (PubChem CID 4799055) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine
PubChem CID4799055
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine
SMILESc1cc2c(cc1-c1nnc(NC3CCCCC3)o1)OCO2
InChIInChI=1S/C15H17N3O3/c1-2-4-11(5-3-1)16-15-18-17-14(21-15)10-6-7-12-13(8-10)20-9-19-12/h6-8,11H,1-5,9H2,(H,16,18)
InChIKeySYHQEASNSBBZQT-UHFFFAOYSA-N
XLogP3.21
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopentylpropanamide
CID 17390700
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959775
4-(1,3-benzodioxol-5-yl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 8961741
5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-carbonitrile
CID 154190788
N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 83886680
N-cyclohexyl-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2155866
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 41179013
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 2595432
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,6-diamine
CID 112856206
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 41178997
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine (CID 4799055) is 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine is c1cc2c(cc1-c1nnc(NC3CCCCC3)o1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
The InChIKey is SYHQEASNSBBZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-4-11(5-3-1)16-15-18-17-14(21-15)10-6-7-12-13(8-10)20-9-19-12/h6-8,11H,1-5,9H2,(H,16,18).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine?
5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-cyclohexyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 4799055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).