9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

C23H19NO4 — CID 20915664

IUPAC9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccco2)C4)cc1
InChIInChI=1S/C23H19NO4/c1-15-4-6-16(7-5-15)19-11-22(25)28-23-18(19)8-9-21-20(23)13-24(14-27-21)12-17-3-2-10-26-17/h2-11H,12-14H2,1H3
InChIKeyMZGUPDXNZDNZLN-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.71
Rot. Bonds3

About 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 20915664) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID20915664
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccco2)C4)cc1
InChIInChI=1S/C23H19NO4/c1-15-4-6-16(7-5-15)19-11-22(25)28-23-18(19)8-9-21-20(23)13-24(14-27-21)12-17-3-2-10-26-17/h2-11H,12-14H2,1H3
InChIKeyMZGUPDXNZDNZLN-UHFFFAOYSA-N
XLogP4.71
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 20915664) is 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccco2)C4)cc1.
What is the InChIKey of 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is MZGUPDXNZDNZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-15-4-6-16(7-5-15)19-11-22(25)28-23-18(19)8-9-21-20(23)13-24(14-27-21)12-17-3-2-10-26-17/h2-11H,12-14H2,1H3.
What are the key properties of 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 373.41 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-2-ylmethyl)-4-(4-methylphenyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 20915664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).