CID 159015287

C10H18BN2O — CID 159015287

IUPAC—
SMILESCC(C)(C)c1nnc(C(C)(C)C)o1.[B]
InChIInChI=1S/C10H18N2O.B/c1-9(2,3)7-11-12-8(13-7)10(4,5)6;/h1-6H3;
InChIKeyKGZMXRVAFZAICB-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.28
Rot. Bonds

About CID 159015287

CID 159015287 (PubChem CID 159015287) has the molecular formula C10H18BN2O and a molecular weight of 193.08 g/mol.

Molecular Properties

Compound NameCID 159015287
PubChem CID159015287
Molecular FormulaC10H18BN2O
Molecular Weight193.08 g/mol
Exact Mass193.15
IUPAC Name—
SMILESCC(C)(C)c1nnc(C(C)(C)C)o1.[B]
InChIInChI=1S/C10H18N2O.B/c1-9(2,3)7-11-12-8(13-7)10(4,5)6;/h1-6H3;
InChIKeyKGZMXRVAFZAICB-UHFFFAOYSA-N
XLogP2.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.28
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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N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 62138113
(2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 6852125
2-(2-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
CID 55028952
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-dimethyl-(2-methylsulfanylethyl)-λ4-sulfane
CID 170371460
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
CID 62020627
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168500301
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
CID 96864783
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-N-methyl-1-phenylmethanamine
CID 62164427
ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
CID 58747624

Frequently Asked Questions

What is the IUPAC name of CID 159015287?
The IUPAC name of CID 159015287 (CID 159015287) is not available.
What is the SMILES notation for CID 159015287?
The canonical SMILES for CID 159015287 is CC(C)(C)c1nnc(C(C)(C)C)o1.[B].
What is the InChIKey of CID 159015287?
The InChIKey is KGZMXRVAFZAICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.B/c1-9(2,3)7-11-12-8(13-7)10(4,5)6;/h1-6H3;.
What are the key properties of CID 159015287?
CID 159015287 has a molecular weight of 193.08 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159015287 is sourced from PubChem (CID 159015287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).