[4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid

C9H15BN2O4 — CID 175483034

IUPAC[4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid
SMILESCC(CCB(O)O)Cc1ncc(C(N)=O)o1
InChIInChI=1S/C9H15BN2O4/c1-6(2-3-10(14)15)4-8-12-5-7(16-8)9(11)13/h5-6,14-15H,2-4H2,1H3,(H2,11,13)
InChIKeyVCEFCCUAVKHWPD-UHFFFAOYSA-N
MW226.04 g/mol
LogP-0.19
Rot. Bonds6

About [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid

[4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid (PubChem CID 175483034) has the molecular formula C9H15BN2O4 and a molecular weight of 226.04 g/mol. Its IUPAC name is [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid.

Molecular Properties

Compound Name[4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid
PubChem CID175483034
Molecular FormulaC9H15BN2O4
Molecular Weight226.04 g/mol
Exact Mass226.11
IUPAC Name[4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid
SMILESCC(CCB(O)O)Cc1ncc(C(N)=O)o1
InChIInChI=1S/C9H15BN2O4/c1-6(2-3-10(14)15)4-8-12-5-7(16-8)9(11)13/h5-6,14-15H,2-4H2,1H3,(H2,11,13)
InChIKeyVCEFCCUAVKHWPD-UHFFFAOYSA-N
XLogP-0.19
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-pentan-3-yl-1,3-oxazole-5-carboxamide
CID 156643927
2-bromo-1,3-oxazole-5-carboxamide
CID 121231880
methyl 2-ethyl-1,3-oxazole-5-carboxylate
CID 118990037
5-propan-2-yl-1,3-oxazole-2-carboxamide
CID 66641604
2-(methoxymethyl)-N,N-dimethyl-1,3-oxazole-5-carboxamide
CID 123297278
2-(2-methylpropyl)-5-propan-2-yl-1,3-oxazole
CID 58499249
2-[2-[(2S)-2,4,4-trimethylpentyl]-1,3-oxazol-5-yl]acetic acid
CID 125452466
methyl 2-(3-aminopropyl)-1,3-oxazole-5-carboxylate
CID 105441021
2-methyl-1-[2-(2-methylpropyl)-1,3-oxazol-5-yl]propan-1-amine
CID 82399382
1-[2-(dimethylamino)-1,3-oxazol-5-yl]-2-methylpropan-1-one
CID 112712387
2-amino-1-(2-chloro-1,3-oxazol-5-yl)propan-1-one
CID 84655052
CID 164907588
CID 164907588

Frequently Asked Questions

What is the IUPAC name of [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid?
The IUPAC name of [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid (CID 175483034) is [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid.
What is the SMILES notation for [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid?
The canonical SMILES for [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid is CC(CCB(O)O)Cc1ncc(C(N)=O)o1.
What is the InChIKey of [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid?
The InChIKey is VCEFCCUAVKHWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BN2O4/c1-6(2-3-10(14)15)4-8-12-5-7(16-8)9(11)13/h5-6,14-15H,2-4H2,1H3,(H2,11,13).
What are the key properties of [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid?
[4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid has a molecular weight of 226.04 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-carbamoyl-1,3-oxazol-2-yl)-3-methylbutyl]boronic acid is sourced from PubChem (CID 175483034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).