5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

C15H17N3O3 — CID 72927693

IUPAC5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(CC1COc2ccccc2O1)c1nnc(C2CC2)o1
InChIInChI=1S/C15H17N3O3/c1-18(15-17-16-14(21-15)10-6-7-10)8-11-9-19-12-4-2-3-5-13(12)20-11/h2-5,10-11H,6-9H2,1H3
InChIKeyNHDMCJSIGKPMBK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.22
Rot. Bonds4

About 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 72927693) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID72927693
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(CC1COc2ccccc2O1)c1nnc(C2CC2)o1
InChIInChI=1S/C15H17N3O3/c1-18(15-17-16-14(21-15)10-6-7-10)8-11-9-19-12-4-2-3-5-13(12)20-11/h2-5,10-11H,6-9H2,1H3
InChIKeyNHDMCJSIGKPMBK-UHFFFAOYSA-N
XLogP2.22
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-diethyl-N-methyl-1,2,4-triazin-3-amine
CID 126771566
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
CID 43607109
3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 124872549
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 94026753
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-3H-quinazolin-4-one
CID 136816752
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 47016247
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45252895
potassium 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole-2-thiolate
CID 146020826
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine
CID 133489254
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613861
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 72927693) is 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CN(CC1COc2ccccc2O1)c1nnc(C2CC2)o1.
What is the InChIKey of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NHDMCJSIGKPMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(15-17-16-14(21-15)10-6-7-10)8-11-9-19-12-4-2-3-5-13(12)20-11/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72927693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).