N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H18N2O4 — CID 134707818

IUPACN-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCc1c(C)noc1NC(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C16H18N2O4/c1-4-11-10(3)18-22-16(11)17-15(19)12-8-14-13(7-9(12)2)20-5-6-21-14/h7-8H,4-6H2,1-3H3,(H,17,19)
InChIKeyRORCTTARHPQCIE-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.88
Rot. Bonds3

About N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 134707818) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID134707818
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCCc1c(C)noc1NC(=O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C16H18N2O4/c1-4-11-10(3)18-22-16(11)17-15(19)12-8-14-13(7-9(12)2)20-5-6-21-14/h7-8H,4-6H2,1-3H3,(H,17,19)
InChIKeyRORCTTARHPQCIE-UHFFFAOYSA-N
XLogP2.88
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Related Compounds

N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643
7-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763742
N-(cyanomethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 82475079
N-[4-(dimethylamino)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763741
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763744
N-(2,4-difluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763750
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112759204
N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763647
7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763715
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 29169894
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 36653778
3,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
CID 82498713

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 134707818) is N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is CCc1c(C)noc1NC(=O)c1cc2c(cc1C)OCCO2.
What is the InChIKey of N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is RORCTTARHPQCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-4-11-10(3)18-22-16(11)17-15(19)12-8-14-13(7-9(12)2)20-5-6-21-14/h7-8H,4-6H2,1-3H3,(H,17,19).
What are the key properties of N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 134707818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).