CID 174030837

C12H17BFN3O2 — CID 174030837

IUPAC—
SMILES[B]C(C)(F)OC1CC(c2nnc(CCC(=C)N)o2)C1
InChIInChI=1S/C12H17BFN3O2/c1-7(15)3-4-10-16-17-11(18-10)8-5-9(6-8)19-12(2,13)14/h8-9H,1,3-6,15H2,2H3
InChIKeyKUMMEDVKLUQFAP-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.55
Rot. Bonds6

About CID 174030837

CID 174030837 (PubChem CID 174030837) has the molecular formula C12H17BFN3O2 and a molecular weight of 265.10 g/mol.

Molecular Properties

Compound NameCID 174030837
PubChem CID174030837
Molecular FormulaC12H17BFN3O2
Molecular Weight265.10 g/mol
Exact Mass265.14
IUPAC Name—
SMILES[B]C(C)(F)OC1CC(c2nnc(CCC(=C)N)o2)C1
InChIInChI=1S/C12H17BFN3O2/c1-7(15)3-4-10-16-17-11(18-10)8-5-9(6-8)19-12(2,13)14/h8-9H,1,3-6,15H2,2H3
InChIKeyKUMMEDVKLUQFAP-UHFFFAOYSA-N
XLogP1.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]formamide
CID 167268182
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[(1S,3R)-3-(trifluoromethoxy)cyclopentyl]oxyacetamide
CID 167268085
7-chloro-6-fluoro-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 167268935
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 167268926
2-(4-chlorophenoxy)-3-hydroxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]propanamide
CID 142528037
2-(methoxymethyl)-5-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3,4-oxadiazole
CID 91128539
ethyl 4-[(3S)-3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutanoate
CID 51696646
(3S)-3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.1.1]hexan-1-amine
CID 174265121
5-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 142528056
1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6,6-dimethyl-5-propan-2-ylheptan-4-one
CID 58124233
4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62718559
[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 137480136

Frequently Asked Questions

What is the IUPAC name of CID 174030837?
The IUPAC name of CID 174030837 (CID 174030837) is not available.
What is the SMILES notation for CID 174030837?
The canonical SMILES for CID 174030837 is [B]C(C)(F)OC1CC(c2nnc(CCC(=C)N)o2)C1.
What is the InChIKey of CID 174030837?
The InChIKey is KUMMEDVKLUQFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BFN3O2/c1-7(15)3-4-10-16-17-11(18-10)8-5-9(6-8)19-12(2,13)14/h8-9H,1,3-6,15H2,2H3.
What are the key properties of CID 174030837?
CID 174030837 has a molecular weight of 265.10 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174030837 is sourced from PubChem (CID 174030837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).