N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide

C14H14N2O4 — CID 2552402

IUPACN-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H14N2O4/c1-3-10-13(8(2)16-20-10)14(17)15-9-4-5-11-12(6-9)19-7-18-11/h4-6H,3,7H2,1-2H3,(H,15,17)
InChIKeyFTDDZNSFLJYXNH-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.53
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2552402) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID2552402
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H14N2O4/c1-3-10-13(8(2)16-20-10)14(17)15-9-4-5-11-12(6-9)19-7-18-11/h4-6H,3,7H2,1-2H3,(H,15,17)
InChIKeyFTDDZNSFLJYXNH-UHFFFAOYSA-N
XLogP2.53
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4032784
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790440
N-1,3-benzodioxol-5-yl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 5085061
N-(benzo[d][1,3]dioxol-5-yl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 9437284
[1-(1,3-Benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16305627
N-(1,3-benzodioxol-5-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 690908
N-(3,4-dimethoxyphenyl)-5-isopropylisoxazole-3-carboxamide
CID 3237246
N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(5-cyclopropylisoxazol-3-yl)carboxamide
CID 5308633
N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 5308918
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9113969
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
CID 1022785
N-(1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 2476997

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (CID 2552402) is N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FTDDZNSFLJYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-10-13(8(2)16-20-10)14(17)15-9-4-5-11-12(6-9)19-7-18-11/h4-6H,3,7H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2552402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).