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

C19H18N2O5 — CID 99798109

IUPACN-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
SMILESCC[C@]1(C)Oc2ccc(NC(=O)c3cnoc3-c3ccc(C)o3)cc2O1
InChIInChI=1S/C19H18N2O5/c1-4-19(3)24-14-8-6-12(9-16(14)25-19)21-18(22)13-10-20-26-17(13)15-7-5-11(2)23-15/h5-10H,4H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyIAJMZUMJDLTKPO-LJQANCHMSA-N
MW354.36 g/mol
LogP4.39
Rot. Bonds4

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

N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 99798109) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID99798109
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
SMILESCC[C@]1(C)Oc2ccc(NC(=O)c3cnoc3-c3ccc(C)o3)cc2O1
InChIInChI=1S/C19H18N2O5/c1-4-19(3)24-14-8-6-12(9-16(14)25-19)21-18(22)13-10-20-26-17(13)15-7-5-11(2)23-15/h5-10H,4H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyIAJMZUMJDLTKPO-LJQANCHMSA-N
XLogP4.39
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-2-methylsulfanylbenzamide
CID 2975835
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 99637145
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 99637161
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-3-methyltriazolo[4,5-b]pyridine-6-carboxamide
CID 99637181
N-(2-ethyl-2-methyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzamide
CID 16766246
N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
CID 166379319
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 99637167
5-cyano-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-1H-pyrrole-3-carboxamide
CID 99637176
[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]carbamic acid
CID 69107534
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide
CID 99637184
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110410101
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide (CID 99798109) is N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide is CC[C@]1(C)Oc2ccc(NC(=O)c3cnoc3-c3ccc(C)o3)cc2O1.
What is the InChIKey of N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is IAJMZUMJDLTKPO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-4-19(3)24-14-8-6-12(9-16(14)25-19)21-18(22)13-10-20-26-17(13)15-7-5-11(2)23-15/h5-10H,4H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 99798109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).