2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid

C15H24N2O5 — CID 123640193

IUPAC2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid
SMILESCC(CCCCNc1ncc(C(=O)O)o1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O5/c1-10(13(20)22-15(2,3)4)7-5-6-8-16-14-17-9-11(21-14)12(18)19/h9-10H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKIKQYXNJGNEDAK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.93
Rot. Bonds8

About 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid

2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid (PubChem CID 123640193) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid
PubChem CID123640193
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid
SMILESCC(CCCCNc1ncc(C(=O)O)o1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O5/c1-10(13(20)22-15(2,3)4)7-5-6-8-16-14-17-9-11(21-14)12(18)19/h9-10H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKIKQYXNJGNEDAK-UHFFFAOYSA-N
XLogP2.93
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid 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 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid (CID 123640193) is 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid is CC(CCCCNc1ncc(C(=O)O)o1)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid?
The InChIKey is KIKQYXNJGNEDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-10(13(20)22-15(2,3)4)7-5-6-8-16-14-17-9-11(21-14)12(18)19/h9-10H,5-8H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid?
2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]amino]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 123640193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).