N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide

C17H20N2O4 — CID 31363980

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O4/c1-4-13-16(11(2)23-18-13)17(20)19(3)10-12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyIQGYNZBCLIDUKI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.59
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 31363980) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID31363980
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(C)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H20N2O4/c1-4-13-16(11(2)23-18-13)17(20)19(3)10-12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyIQGYNZBCLIDUKI-UHFFFAOYSA-N
XLogP2.59
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-ethyl-N-(furan-3-ylmethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 74250183
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylfuran-3-carboxamide
CID 34764238
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 51103726
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-methylsulfonylbenzamide
CID 34763907
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 35700889
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethyl-N-methylbutanamide
CID 79814212

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 31363980) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(C)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is IQGYNZBCLIDUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-13-16(11(2)23-18-13)17(20)19(3)10-12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 31363980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).