CID 162193867

C11H20BN2O — CID 162193867

IUPAC—
SMILESCC.Cc1noc(C2CCCCC2)n1.[B]
InChIInChI=1S/C9H14N2O.C2H6.B/c1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-2;/h8H,2-6H2,1H3;1-2H3;
InChIKeyOXHHKTZNCAWGHD-UHFFFAOYSA-N
MW207.11 g/mol
LogP3.07
Rot. Bonds1

About CID 162193867

CID 162193867 (PubChem CID 162193867) has the molecular formula C11H20BN2O and a molecular weight of 207.11 g/mol.

Molecular Properties

Compound NameCID 162193867
PubChem CID162193867
Molecular FormulaC11H20BN2O
Molecular Weight207.11 g/mol
Exact Mass207.17
IUPAC Name—
SMILESCC.Cc1noc(C2CCCCC2)n1.[B]
InChIInChI=1S/C9H14N2O.C2H6.B/c1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-2;/h8H,2-6H2,1H3;1-2H3;
InChIKeyOXHHKTZNCAWGHD-UHFFFAOYSA-N
XLogP3.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 53.07
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

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4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 63346585
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63043501
5-(1-cyclooct-2-en-1-ylpiperidin-4-yl)-3-methyl-1,2,4-oxadiazole
CID 131955862
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
5-cyclopentyl-3-iodo-1,2,4-oxadiazole
CID 112572473
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole
CID 127801903
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
3-methyl-5-(3-propan-2-ylcyclobutyl)-1,2,4-oxadiazole
CID 176864448

Frequently Asked Questions

What is the IUPAC name of CID 162193867?
The IUPAC name of CID 162193867 (CID 162193867) is not available.
What is the SMILES notation for CID 162193867?
The canonical SMILES for CID 162193867 is CC.Cc1noc(C2CCCCC2)n1.[B].
What is the InChIKey of CID 162193867?
The InChIKey is OXHHKTZNCAWGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6.B/c1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-2;/h8H,2-6H2,1H3;1-2H3;.
What are the key properties of CID 162193867?
CID 162193867 has a molecular weight of 207.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162193867 is sourced from PubChem (CID 162193867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).