CID 59268978

C10H16BN2O — CID 59268978

IUPAC—
SMILESC[B]N1CCCC(c2nc(C)co2)C1
InChIInChI=1S/C10H16BN2O/c1-8-7-14-10(12-8)9-4-3-5-13(6-9)11-2/h7,9H,3-6H2,1-2H3
InChIKeyMPJVNXGQLXYHDC-UHFFFAOYSA-N
MW191.06 g/mol
LogP1.83
Rot. Bonds2

About CID 59268978

CID 59268978 (PubChem CID 59268978) has the molecular formula C10H16BN2O and a molecular weight of 191.06 g/mol.

Molecular Properties

Compound NameCID 59268978
PubChem CID59268978
Molecular FormulaC10H16BN2O
Molecular Weight191.06 g/mol
Exact Mass191.14
IUPAC Name—
SMILESC[B]N1CCCC(c2nc(C)co2)C1
InChIInChI=1S/C10H16BN2O/c1-8-7-14-10(12-8)9-4-3-5-13(6-9)11-2/h7,9H,3-6H2,1-2H3
InChIKeyMPJVNXGQLXYHDC-UHFFFAOYSA-N
XLogP1.83
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-methyl-1,3-oxazol-2-yl)piperidin-1-yl]ethanamine
CID 83884523
4-methyl-2-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 130653621
CID 161117119
CID 161117119
4-(4-methyl-1,3-oxazol-2-yl)cyclohexan-1-amine
CID 82408866
CID 157221926
CID 157221926
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082600
CID 158780682
CID 158780682
CID 59556459
CID 59556459
2-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-ol
CID 115082650
3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082709
6-chloro-4-[2-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-1H-pyrimidin-2-one
CID 167863896
N-methyl-3-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082711

Frequently Asked Questions

What is the IUPAC name of CID 59268978?
The IUPAC name of CID 59268978 (CID 59268978) is not available.
What is the SMILES notation for CID 59268978?
The canonical SMILES for CID 59268978 is C[B]N1CCCC(c2nc(C)co2)C1.
What is the InChIKey of CID 59268978?
The InChIKey is MPJVNXGQLXYHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BN2O/c1-8-7-14-10(12-8)9-4-3-5-13(6-9)11-2/h7,9H,3-6H2,1-2H3.
What are the key properties of CID 59268978?
CID 59268978 has a molecular weight of 191.06 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59268978 is sourced from PubChem (CID 59268978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).