CID 89212359

C7H5BN2O — CID 89212359

IUPAC—
SMILES[B]c1ccc2oc(N)nc2c1
InChIInChI=1S/C7H5BN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyZHSGJEXMLCIVDQ-UHFFFAOYSA-N
MW143.94 g/mol
LogP0.20
Rot. Bonds

About CID 89212359

CID 89212359 (PubChem CID 89212359) has the molecular formula C7H5BN2O and a molecular weight of 143.94 g/mol.

Molecular Properties

Compound NameCID 89212359
PubChem CID89212359
Molecular FormulaC7H5BN2O
Molecular Weight143.94 g/mol
Exact Mass144.05
IUPAC Name—
SMILES[B]c1ccc2oc(N)nc2c1
InChIInChI=1S/C7H5BN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKeyZHSGJEXMLCIVDQ-UHFFFAOYSA-N
XLogP0.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.94
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(pentafluoro-λ6-sulfanyl)-1,3-benzoxazol-2-amine
CID 153313317
2-amino-1,3-benzoxazole-5-carbaldehyde
CID 75488501
1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
CID 15750383
5-pyrrol-1-yl-1,3-benzoxazol-2-amine
CID 175957420
5-propyl-1,3-benzoxazol-2-amine
CID 62548389
CID 89035769
CID 89035769
5-(3-aminoprop-2-enylsulfanyl)-1,3-benzoxazol-2-amine
CID 70491101
3-(2-amino-1,3-benzoxazol-5-yl)-2,2-dimethylpropan-1-ol
CID 90787479
5-(3,3,4,4-tetramethyloxetan-2-yl)-1,3-benzoxazol-2-amine
CID 90969055
2-amino-1,3-benzoxazole-6-thiol
CID 130877164
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 143969091

Frequently Asked Questions

What is the IUPAC name of CID 89212359?
The IUPAC name of CID 89212359 (CID 89212359) is not available.
What is the SMILES notation for CID 89212359?
The canonical SMILES for CID 89212359 is [B]c1ccc2oc(N)nc2c1.
What is the InChIKey of CID 89212359?
The InChIKey is ZHSGJEXMLCIVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10).
What are the key properties of CID 89212359?
CID 89212359 has a molecular weight of 143.94 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89212359 is sourced from PubChem (CID 89212359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).