N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide

C17H16N2O5 — CID 46650326

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide
SMILESCCC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H16N2O5/c1-3-13(17(21)18-15-8-10(2)24-19-15)22-12-6-4-11-5-7-16(20)23-14(11)9-12/h4-9,13H,3H2,1-2H3,(H,18,19,21)
InChIKeyQUZCZSCHEOFRMV-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.89
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide (PubChem CID 46650326) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide
PubChem CID46650326
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide
SMILESCCC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H16N2O5/c1-3-13(17(21)18-15-8-10(2)24-19-15)22-12-6-4-11-5-7-16(20)23-14(11)9-12/h4-9,13H,3H2,1-2H3,(H,18,19,21)
InChIKeyQUZCZSCHEOFRMV-UHFFFAOYSA-N
XLogP2.89
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24533965
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40810164
N-ethyl-4-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 95354548
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
2-(2,4-dichlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17249236
2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
CID 118265067
4-methoxy-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 18103303
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethylbenzoate
CID 41037166

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide (CID 46650326) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide is CCC(Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide?
The InChIKey is QUZCZSCHEOFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-3-13(17(21)18-15-8-10(2)24-19-15)22-12-6-4-11-5-7-16(20)23-14(11)9-12/h4-9,13H,3H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide has a molecular weight of 328.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxochromen-7-yl)oxybutanamide is sourced from PubChem (CID 46650326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).