4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide

C26H18N2O4 — CID 16867578

IUPAC4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(-c3ccccc3)cc2)on1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C26H18N2O4/c29-22-15-25(31-23-9-5-4-8-21(22)23)26(30)27-16-20-14-24(32-28-20)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,16H2,(H,27,30)
InChIKeyHEUZRPCAWYWWPW-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.05
Rot. Bonds5

About 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide

4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide (PubChem CID 16867578) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
PubChem CID16867578
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide
SMILESO=C(NCc1cc(-c2ccc(-c3ccccc3)cc2)on1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C26H18N2O4/c29-22-15-25(31-23-9-5-4-8-21(22)23)26(30)27-16-20-14-24(32-28-20)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,16H2,(H,27,30)
InChIKeyHEUZRPCAWYWWPW-UHFFFAOYSA-N
XLogP5.05
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide (CID 16867578) is 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide is O=C(NCc1cc(-c2ccc(-c3ccccc3)cc2)on1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide?
The InChIKey is HEUZRPCAWYWWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O4/c29-22-15-25(31-23-9-5-4-8-21(22)23)26(30)27-16-20-14-24(32-28-20)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,16H2,(H,27,30).
What are the key properties of 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide?
4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 16867578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).