1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide

C18H15N3O5 — CID 90511291

IUPAC1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3cc4ccccc4oc3=O)C2)no1
InChIInChI=1S/C18H15N3O5/c1-10-6-13(20-26-10)17(23)21-8-12(9-21)16(22)19-14-7-11-4-2-3-5-15(11)25-18(14)24/h2-7,12H,8-9H2,1H3,(H,19,22)
InChIKeyCHOLBFOVAPXWBL-UHFFFAOYSA-N
MW353.33 g/mol
LogP1.80
Rot. Bonds3

About 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide

1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide (PubChem CID 90511291) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide
PubChem CID90511291
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3cc4ccccc4oc3=O)C2)no1
InChIInChI=1S/C18H15N3O5/c1-10-6-13(20-26-10)17(23)21-8-12(9-21)16(22)19-14-7-11-4-2-3-5-15(11)25-18(14)24/h2-7,12H,8-9H2,1H3,(H,19,22)
InChIKeyCHOLBFOVAPXWBL-UHFFFAOYSA-N
XLogP1.80
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide (CID 90511291) is 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)Nc3cc4ccccc4oc3=O)C2)no1.
What is the InChIKey of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide?
The InChIKey is CHOLBFOVAPXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-10-6-13(20-26-10)17(23)21-8-12(9-21)16(22)19-14-7-11-4-2-3-5-15(11)25-18(14)24/h2-7,12H,8-9H2,1H3,(H,19,22).
What are the key properties of 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide?
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90511291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).