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

C17H14N2O5 — CID 46087404

IUPAC5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)o1
InChIInChI=1S/C17H14N2O5/c1-10-2-4-12(23-10)8-18-17(20)13-7-15(24-19-13)11-3-5-14-16(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,20)
InChIKeyHVPKIXYYODHLAO-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.90
Rot. Bonds4

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

5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 46087404) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID46087404
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)o1
InChIInChI=1S/C17H14N2O5/c1-10-2-4-12(23-10)8-18-17(20)13-7-15(24-19-13)11-3-5-14-16(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,20)
InChIKeyHVPKIXYYODHLAO-UHFFFAOYSA-N
XLogP2.90
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
5-(1,3-benzodioxol-5-yl)-N-butyl-1,2-oxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 46087349
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
5-(1,3-benzodioxol-5-yl)-N-(2-ethylphenyl)-1,2-oxazole-3-carboxamide
CID 15988831
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
CID 3397094
5-(1,3-benzodioxol-5-yl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676224
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylbenzamide
CID 27370196
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 46087404) is 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)o1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HVPKIXYYODHLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-10-2-4-12(23-10)8-18-17(20)13-7-15(24-19-13)11-3-5-14-16(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,20).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).