3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C19H16N2O3 — CID 119032993

IUPAC3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H16N2O3/c1-12-14-9-5-6-10-15(14)23-18(12)19(22)20-17-11-16(24-21-17)13-7-3-2-4-8-13/h2-12,18H,1H3,(H,20,21,22)
InChIKeyHYRFNZNNJXBJNS-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.84
Rot. Bonds3

About 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 119032993) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID119032993
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H16N2O3/c1-12-14-9-5-6-10-15(14)23-18(12)19(22)20-17-11-16(24-21-17)13-7-3-2-4-8-13/h2-12,18H,1H3,(H,20,21,22)
InChIKeyHYRFNZNNJXBJNS-UHFFFAOYSA-N
XLogP3.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 119032993) is 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC1c2ccccc2OC1C(=O)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is HYRFNZNNJXBJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-14-9-5-6-10-15(14)23-18(12)19(22)20-17-11-16(24-21-17)13-7-3-2-4-8-13/h2-12,18H,1H3,(H,20,21,22).
What are the key properties of 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119032993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).