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

C14H14N2O3 — CID 43336233

IUPAC3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CC2)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14N2O3/c15-14-12(13(16-19-14)8-1-2-8)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,1-2,5-6,15H2
InChIKeyZZOMMDOLRCEBFW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.57
Rot. Bonds2

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

3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine (PubChem CID 43336233) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
PubChem CID43336233
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
SMILESNc1onc(C2CC2)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H14N2O3/c15-14-12(13(16-19-14)8-1-2-8)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,1-2,5-6,15H2
InChIKeyZZOMMDOLRCEBFW-UHFFFAOYSA-N
XLogP2.57
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-5-amine
CID 43336723
5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 66204000
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
CID 43670972
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66201299
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
CID 82079467
3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 82081360
4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670770
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
CID 79557105
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine (CID 43336233) is 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine is Nc1onc(C2CC2)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
The InChIKey is ZZOMMDOLRCEBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-14-12(13(16-19-14)8-1-2-8)9-3-4-10-11(7-9)18-6-5-17-10/h3-4,7-8H,1-2,5-6,15H2.
What are the key properties of 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine?
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine has a molecular weight of 258.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43336233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).