(2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C14H14N2O4 — CID 7246504

IUPAC(2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)no1
InChIInChI=1S/C14H14N2O4/c1-8-7-12(16-20-8)15-14(17)13-9(2)18-10-5-3-4-6-11(10)19-13/h3-7,9,13H,1-2H3,(H,15,16,17)/t9-,13+/m0/s1
InChIKeyZSJHVIBPZCHJQC-TVQRCGJNSA-N
MW274.28 g/mol
LogP2.15
Rot. Bonds2

About (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 7246504) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID7246504
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)no1
InChIInChI=1S/C14H14N2O4/c1-8-7-12(16-20-8)15-14(17)13-9(2)18-10-5-3-4-6-11(10)19-13/h3-7,9,13H,1-2H3,(H,15,16,17)/t9-,13+/m0/s1
InChIKeyZSJHVIBPZCHJQC-TVQRCGJNSA-N
XLogP2.15
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 63819901
(2S,3S)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30008379
(2S,3R)-2-methyl-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30008387
(2S,3S)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41291682
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(2S,3S)-N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51641523
N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 50823341
(2S,3S)-2-methyl-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29370840
(2S,3R)-N-(3-chlorophenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7393448
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
(2S,3R)-N-(2,6-diethylphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41077204
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 7246504) is (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1cc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)no1.
What is the InChIKey of (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is ZSJHVIBPZCHJQC-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-7-12(16-20-8)15-14(17)13-9(2)18-10-5-3-4-6-11(10)19-13/h3-7,9,13H,1-2H3,(H,15,16,17)/t9-,13+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 7246504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).