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

C15H16N2O3 — CID 66204000

IUPAC5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC2)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O3/c16-15-14(13(20-17-15)7-9-1-2-9)10-3-4-11-12(8-10)19-6-5-18-11/h3-4,8-9H,1-2,5-7H2,(H2,16,17)
InChIKeyFLPBIQFFDPFOJV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.65
Rot. Bonds3

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

5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine (PubChem CID 66204000) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
PubChem CID66204000
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine
SMILESNc1noc(CC2CC2)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H16N2O3/c16-15-14(13(20-17-15)7-9-1-2-9)10-3-4-11-12(8-10)19-6-5-18-11/h3-4,8-9H,1-2,5-7H2,(H2,16,17)
InChIKeyFLPBIQFFDPFOJV-UHFFFAOYSA-N
XLogP2.65
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine (CID 66204000) is 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine is Nc1noc(CC2CC2)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine?
The InChIKey is FLPBIQFFDPFOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-15-14(13(20-17-15)7-9-1-2-9)10-3-4-11-12(8-10)19-6-5-18-11/h3-4,8-9H,1-2,5-7H2,(H2,16,17).
What are the key properties of 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine?
5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine has a molecular weight of 272.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66204000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).