8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C18H15N3O3 — CID 46273621

IUPAC8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(C)n3)c1CO2
InChIInChI=1S/C18H15N3O3/c1-10-6-7-14-12(8-10)17-13(9-23-14)16(21-24-17)18(22)20-15-5-3-4-11(2)19-15/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyQBPQPPOCEHATAE-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.50
Rot. Bonds2

About 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46273621) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46273621
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(C)n3)c1CO2
InChIInChI=1S/C18H15N3O3/c1-10-6-7-14-12(8-10)17-13(9-23-14)16(21-24-17)18(22)20-15-5-3-4-11(2)19-15/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyQBPQPPOCEHATAE-UHFFFAOYSA-N
XLogP3.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46273621) is 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is Cc1ccc2c(c1)-c1onc(C(=O)Nc3cccc(C)n3)c1CO2.
What is the InChIKey of 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is QBPQPPOCEHATAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-6-7-14-12(8-10)17-13(9-23-14)16(21-24-17)18(22)20-15-5-3-4-11(2)19-15/h3-8H,9H2,1-2H3,(H,19,20,22).
What are the key properties of 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(6-methyl-2-pyridinyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46273621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).