CID 167685333

C13H15N3O3Si — CID 167685333

IUPAC—
SMILESCOc1ccc(-c2nnc(N=C(C)[Si]C)o2)cc1OC
InChIInChI=1S/C13H15N3O3Si/c1-8(20-4)14-13-16-15-12(19-13)9-5-6-10(17-2)11(7-9)18-3/h5-7H,1-4H3
InChIKeyBXSLBNJAVLQRHH-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.56
Rot. Bonds5

About CID 167685333

CID 167685333 (PubChem CID 167685333) has the molecular formula C13H15N3O3Si and a molecular weight of 289.37 g/mol.

Molecular Properties

Compound NameCID 167685333
PubChem CID167685333
Molecular FormulaC13H15N3O3Si
Molecular Weight289.37 g/mol
Exact Mass289.09
IUPAC Name—
SMILESCOc1ccc(-c2nnc(N=C(C)[Si]C)o2)cc1OC
InChIInChI=1S/C13H15N3O3Si/c1-8(20-4)14-13-16-15-12(19-13)9-5-6-10(17-2)11(7-9)18-3/h5-7H,1-4H3
InChIKeyBXSLBNJAVLQRHH-UHFFFAOYSA-N
XLogP2.56
TPSA69.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,1-bis(methylsulfanyl)methanimine
CID 164938861
methyl N-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanimidothioate
CID 167629361
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
CID 166198597
3-amino-2-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]but-2-enenitrile
CID 4826471
2-(3,4-dimethoxyphenyl)-5-ethylsulfonyl-1,3,4-oxadiazole
CID 56957991
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
2-(3,4-dimethoxyphenyl)-5-[(1R)-1-phenylethyl]sulfanyl-1,3,4-oxadiazole
CID 9362117
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105

Frequently Asked Questions

What is the IUPAC name of CID 167685333?
The IUPAC name of CID 167685333 (CID 167685333) is not available.
What is the SMILES notation for CID 167685333?
The canonical SMILES for CID 167685333 is COc1ccc(-c2nnc(N=C(C)[Si]C)o2)cc1OC.
What is the InChIKey of CID 167685333?
The InChIKey is BXSLBNJAVLQRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3Si/c1-8(20-4)14-13-16-15-12(19-13)9-5-6-10(17-2)11(7-9)18-3/h5-7H,1-4H3.
What are the key properties of CID 167685333?
CID 167685333 has a molecular weight of 289.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167685333 is sourced from PubChem (CID 167685333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).