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

C19H20N2O5 — CID 46097397

IUPAC5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCOc1cc(OC)cc(-c2onc(C)c2C(=O)NCc2ccc(C)o2)c1
InChIInChI=1S/C19H20N2O5/c1-11-5-6-14(25-11)10-20-19(22)17-12(2)21-26-18(17)13-7-15(23-3)9-16(8-13)24-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyMOEVPULFAPXFCV-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.50
Rot. Bonds6

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

5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 46097397) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID46097397
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCOc1cc(OC)cc(-c2onc(C)c2C(=O)NCc2ccc(C)o2)c1
InChIInChI=1S/C19H20N2O5/c1-11-5-6-14(25-11)10-20-19(22)17-12(2)21-26-18(17)13-7-15(23-3)9-16(8-13)24-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyMOEVPULFAPXFCV-UHFFFAOYSA-N
XLogP3.50
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide (CID 46097397) is 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide is COc1cc(OC)cc(-c2onc(C)c2C(=O)NCc2ccc(C)o2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is MOEVPULFAPXFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-11-5-6-14(25-11)10-20-19(22)17-12(2)21-26-18(17)13-7-15(23-3)9-16(8-13)24-4/h5-9H,10H2,1-4H3,(H,20,22).
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide?
5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).