CID 123835160

C3H2BNO — CID 123835160

IUPAC—
SMILES[B]c1cnco1
InChIInChI=1S/C3H2BNO/c4-3-1-5-2-6-3/h1-2H
InChIKeyQTNHKYBBNYNVCF-UHFFFAOYSA-N
MW78.87 g/mol
LogP-0.53
Rot. Bonds

About CID 123835160

CID 123835160 (PubChem CID 123835160) has the molecular formula C3H2BNO and a molecular weight of 78.87 g/mol.

Molecular Properties

Compound NameCID 123835160
PubChem CID123835160
Molecular FormulaC3H2BNO
Molecular Weight78.87 g/mol
Exact Mass79.02
IUPAC Name—
SMILES[B]c1cnco1
InChIInChI=1S/C3H2BNO/c4-3-1-5-2-6-3/h1-2H
InChIKeyQTNHKYBBNYNVCF-UHFFFAOYSA-N
XLogP-0.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.87
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1,3-oxazole
CID 143294178
1,3-oxazol-5-ylphosphane
CID 143976515
bis(1,3-oxazol-5-yl)methanol
CID 175811606
ethane;5-ethyl-1,3-oxazole
CID 142253106
benzene;5-phenyl-1,3-oxazole
CID 69095044
2-(1,3-oxazol-5-yl)propan-2-amine
CID 82593655
1,3-oxazole-5-carboxamide
CID 22318809
5-(trifluoromethoxy)-1,3-oxazole
CID 118363933
5-butyl-1,3-oxazole
CID 18000835
5-ethoxy-1,3-oxazole;phosphane
CID 160995781
5-(3,5-difluorophenyl)-1,3-oxazole
CID 67531476
5-[(1R,2R)-2-methylcyclopropyl]-1,3-oxazole
CID 129256148

Frequently Asked Questions

What is the IUPAC name of CID 123835160?
The IUPAC name of CID 123835160 (CID 123835160) is not available.
What is the SMILES notation for CID 123835160?
The canonical SMILES for CID 123835160 is [B]c1cnco1.
What is the InChIKey of CID 123835160?
The InChIKey is QTNHKYBBNYNVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BNO/c4-3-1-5-2-6-3/h1-2H.
What are the key properties of CID 123835160?
CID 123835160 has a molecular weight of 78.87 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123835160 is sourced from PubChem (CID 123835160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).