2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H21N3O4 — CID 47065391

IUPAC2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Nc2cccc(COCc3ccco3)c2)no1
InChIInChI=1S/C19H21N3O4/c1-13-9-18(22-26-13)21-19(23)14(2)20-16-6-3-5-15(10-16)11-24-12-17-7-4-8-25-17/h3-10,14,20H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyYTUHZDAODVYRIT-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.73
Rot. Bonds8

About 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 47065391) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID47065391
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)Nc2cccc(COCc3ccco3)c2)no1
InChIInChI=1S/C19H21N3O4/c1-13-9-18(22-26-13)21-19(23)14(2)20-16-6-3-5-15(10-16)11-24-12-17-7-4-8-25-17/h3-10,14,20H,11-12H2,1-2H3,(H,21,22,23)
InChIKeyYTUHZDAODVYRIT-UHFFFAOYSA-N
XLogP3.73
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 47065391) is 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)Nc2cccc(COCc3ccco3)c2)no1.
What is the InChIKey of 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is YTUHZDAODVYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-9-18(22-26-13)21-19(23)14(2)20-16-6-3-5-15(10-16)11-24-12-17-7-4-8-25-17/h3-10,14,20H,11-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 355.39 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethoxymethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 47065391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).