1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine

C15H18N2O3 — CID 106223951

IUPAC1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc3c(c2)OCCCO3)no1
InChIInChI=1S/C15H18N2O3/c1-2-11(16)14-9-12(17-20-14)10-4-5-13-15(8-10)19-7-3-6-18-13/h4-5,8-9,11H,2-3,6-7,16H2,1H3
InChIKeyAONLNCJRYVDZLD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.91
Rot. Bonds3

About 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine

1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 106223951) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID106223951
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2ccc3c(c2)OCCCO3)no1
InChIInChI=1S/C15H18N2O3/c1-2-11(16)14-9-12(17-20-14)10-4-5-13-15(8-10)19-7-3-6-18-13/h4-5,8-9,11H,2-3,6-7,16H2,1H3
InChIKeyAONLNCJRYVDZLD-UHFFFAOYSA-N
XLogP2.91
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine with MolForge

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Related Compounds

5-chloro-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole
CID 80645898
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336845
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
1-[3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-yl]ethanamine
CID 114420256
3-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridazine
CID 43583883
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole
CID 82129027
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazole
CID 82115637
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
CID 65017848
1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224128
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 96668348
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420029
2-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-oxazole
CID 102974620

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine (CID 106223951) is 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2ccc3c(c2)OCCCO3)no1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is AONLNCJRYVDZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-11(16)14-9-12(17-20-14)10-4-5-13-15(8-10)19-7-3-6-18-13/h4-5,8-9,11H,2-3,6-7,16H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine?
1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 274.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 106223951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).