N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide

C14H10N2O4 — CID 5151594

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2coc3ccccc3c2=O)no1
InChIInChI=1S/C14H10N2O4/c1-8-6-12(16-20-8)15-14(18)10-7-19-11-5-3-2-4-9(11)13(10)17/h2-7H,1H3,(H,15,16,18)
InChIKeyOVZUNNHMJAJMBZ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.34
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide (PubChem CID 5151594) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide
PubChem CID5151594
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2coc3ccccc3c2=O)no1
InChIInChI=1S/C14H10N2O4/c1-8-6-12(16-20-8)15-14(18)10-7-19-11-5-3-2-4-9(11)13(10)17/h2-7H,1H3,(H,15,16,18)
InChIKeyOVZUNNHMJAJMBZ-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide (CID 5151594) is N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide is Cc1cc(NC(=O)c2coc3ccccc3c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide?
The InChIKey is OVZUNNHMJAJMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-8-6-12(16-20-8)15-14(18)10-7-19-11-5-3-2-4-9(11)13(10)17/h2-7H,1H3,(H,15,16,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-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 N-(5-methyl-1,2-oxazol-3-yl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 5151594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).