7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide

C14H10N2O4 — CID 172882449

IUPAC7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccon3)oc(=O)c2c1
InChIInChI=1S/C14H10N2O4/c1-8-2-3-9-7-11(20-14(18)10(9)6-8)13(17)15-12-4-5-19-16-12/h2-7H,1H3,(H,15,16,17)
InChIKeyCRXKDMZSWSRDIJ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.34
Rot. Bonds2

About 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide

7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide (PubChem CID 172882449) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide
PubChem CID172882449
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ccon3)oc(=O)c2c1
InChIInChI=1S/C14H10N2O4/c1-8-2-3-9-7-11(20-14(18)10(9)6-8)13(17)15-12-4-5-19-16-12/h2-7H,1H3,(H,15,16,17)
InChIKeyCRXKDMZSWSRDIJ-UHFFFAOYSA-N
XLogP2.34
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide?
The IUPAC name of 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide (CID 172882449) is 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide?
The canonical SMILES for 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide is Cc1ccc2cc(C(=O)Nc3ccon3)oc(=O)c2c1.
What is the InChIKey of 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide?
The InChIKey is CRXKDMZSWSRDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-8-2-3-9-7-11(20-14(18)10(9)6-8)13(17)15-12-4-5-19-16-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide?
7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide has a molecular weight of 270.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(1,2-oxazol-3-yl)-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 172882449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).