4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine

C14H16N2O3 — CID 66201299

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1onc(N)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O3/c1-8(2)13-12(14(15)16-19-13)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16)
InChIKeyWMVQIRDZGGMRDR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.82
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine (PubChem CID 66201299) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine
PubChem CID66201299
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine
SMILESCC(C)c1onc(N)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H16N2O3/c1-8(2)13-12(14(15)16-19-13)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16)
InChIKeyWMVQIRDZGGMRDR-UHFFFAOYSA-N
XLogP2.82
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine with MolForge

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Related Compounds

5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 66204000
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 79557105
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61323972
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 43336233
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001711
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
CID 82079467
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
CID 43670972
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
3-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazole
CID 112571996
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
4-(1,3-benzodioxol-5-yl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690658

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine (CID 66201299) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine is CC(C)c1onc(N)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine?
The InChIKey is WMVQIRDZGGMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(2)13-12(14(15)16-19-13)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine has a molecular weight of 260.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66201299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).