[(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid

C15H25BN2O4 — CID 177377108

IUPAC[(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid
SMILESCC(C)C[C@H](NC(=O)c1cc(C2CCCCC2)no1)B(O)O
InChIInChI=1S/C15H25BN2O4/c1-10(2)8-14(16(20)21)17-15(19)13-9-12(18-22-13)11-6-4-3-5-7-11/h9-11,14,20-21H,3-8H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyIIZVZHVTAOUGIU-AWEZNQCLSA-N
MW308.19 g/mol
LogP1.88
Rot. Bonds6

About [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid

[(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid (PubChem CID 177377108) has the molecular formula C15H25BN2O4 and a molecular weight of 308.19 g/mol. Its IUPAC name is [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid.

Molecular Properties

Compound Name[(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid
PubChem CID177377108
Molecular FormulaC15H25BN2O4
Molecular Weight308.19 g/mol
Exact Mass308.19
IUPAC Name[(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid
SMILESCC(C)C[C@H](NC(=O)c1cc(C2CCCCC2)no1)B(O)O
InChIInChI=1S/C15H25BN2O4/c1-10(2)8-14(16(20)21)17-15(19)13-9-12(18-22-13)11-6-4-3-5-7-11/h9-11,14,20-21H,3-8H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyIIZVZHVTAOUGIU-AWEZNQCLSA-N
XLogP1.88
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic 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 [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid?
The IUPAC name of [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid (CID 177377108) is [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid.
What is the SMILES notation for [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid?
The canonical SMILES for [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid is CC(C)C[C@H](NC(=O)c1cc(C2CCCCC2)no1)B(O)O.
What is the InChIKey of [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid?
The InChIKey is IIZVZHVTAOUGIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25BN2O4/c1-10(2)8-14(16(20)21)17-15(19)13-9-12(18-22-13)11-6-4-3-5-7-11/h9-11,14,20-21H,3-8H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid?
[(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid has a molecular weight of 308.19 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(3-cyclohexyl-1,2-oxazole-5-carbonyl)amino]-3-methylbutyl]boronic acid is sourced from PubChem (CID 177377108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).