N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide

C18H12N2O4 — CID 19154798

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)no1
InChIInChI=1S/C18H12N2O4/c1-10-8-16(20-24-10)19-17(21)14-9-13-12-5-3-2-4-11(12)6-7-15(13)23-18(14)22/h2-9H,1H3,(H,19,20,21)
InChIKeyOARBYQNGUFTLRZ-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.49
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 19154798) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID19154798
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)no1
InChIInChI=1S/C18H12N2O4/c1-10-8-16(20-24-10)19-17(21)14-9-13-12-5-3-2-4-11(12)6-7-15(13)23-18(14)22/h2-9H,1H3,(H,19,20,21)
InChIKeyOARBYQNGUFTLRZ-UHFFFAOYSA-N
XLogP3.49
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide (CID 19154798) is N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide is Cc1cc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is OARBYQNGUFTLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c1-10-8-16(20-24-10)19-17(21)14-9-13-12-5-3-2-4-11(12)6-7-15(13)23-18(14)22/h2-9H,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 19154798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).