2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C15H16N2O5 — CID 24534310

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C15H16N2O5/c1-9-7-14(17-22-9)16-15(18)10(2)21-11-3-4-12-13(8-11)20-6-5-19-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyPCWNMKODAUOILL-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.16
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 24534310) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID24534310
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Oc2ccc3c(c2)OCCO3)no1
InChIInChI=1S/C15H16N2O5/c1-9-7-14(17-22-9)16-15(18)10(2)21-11-3-4-12-13(8-11)20-6-5-19-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyPCWNMKODAUOILL-UHFFFAOYSA-N
XLogP2.16
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 17397368
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenoxy)propanamide
CID 18097177
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 41480133
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893768
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 24534310) is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)Oc2ccc3c(c2)OCCO3)no1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is PCWNMKODAUOILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-9-7-14(17-22-9)16-15(18)10(2)21-11-3-4-12-13(8-11)20-6-5-19-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 304.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 24534310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).