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

C22H17NO4 — CID 25282401

IUPAC9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESO=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(Cc1ccco1)C3
InChIInChI=1S/C22H17NO4/c24-22-18(15-5-2-1-3-6-15)11-16-8-9-20-19(21(16)27-22)13-23(14-26-20)12-17-7-4-10-25-17/h1-11H,12-14H2
InChIKeySRVDLFFQFDONJY-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.41
Rot. Bonds3

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

9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 25282401) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID25282401
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESO=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(Cc1ccco1)C3
InChIInChI=1S/C22H17NO4/c24-22-18(15-5-2-1-3-6-15)11-16-8-9-20-19(21(16)27-22)13-23(14-26-20)12-17-7-4-10-25-17/h1-11H,12-14H2
InChIKeySRVDLFFQFDONJY-UHFFFAOYSA-N
XLogP4.41
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.41
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)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 25282401) is 9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(Cc1ccco1)C3.
What is the InChIKey of 9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is SRVDLFFQFDONJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-22-18(15-5-2-1-3-6-15)11-16-8-9-20-19(21(16)27-22)13-23(14-26-20)12-17-7-4-10-25-17/h1-11H,12-14H2.
What are the key properties of 9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
9-(furan-2-ylmethyl)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 359.38 g/mol, XLogP of 4.41, 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)-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 25282401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).