formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole

C16H19N5O5S — CID 155939260

IUPACformic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCO[C@H]1COC[C@H]1n1ccnc1-c1ccc(Sc2nncn2C)o1.O=CO
InChIInChI=1S/C15H17N5O3S.CH2O2/c1-19-9-17-18-15(19)24-13-4-3-11(23-13)14-16-5-6-20(14)10-7-22-8-12(10)21-2;2-1-3/h3-6,9-10,12H,7-8H2,1-2H3;1H,(H,2,3)/t10-,12+;/m1./s1
InChIKeyBVFYGQQHCMYMOX-IYJPBCIQSA-N
MW393.43 g/mol
LogP1.71
Rot. Bonds5

About formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole

formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (PubChem CID 155939260) has the molecular formula C16H19N5O5S and a molecular weight of 393.43 g/mol. Its IUPAC name is formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Nameformic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
PubChem CID155939260
Molecular FormulaC16H19N5O5S
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Nameformic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
SMILESCO[C@H]1COC[C@H]1n1ccnc1-c1ccc(Sc2nncn2C)o1.O=CO
InChIInChI=1S/C15H17N5O3S.CH2O2/c1-19-9-17-18-15(19)24-13-4-3-11(23-13)14-16-5-6-20(14)10-7-22-8-12(10)21-2;2-1-3/h3-6,9-10,12H,7-8H2,1-2H3;1H,(H,2,3)/t10-,12+;/m1./s1
InChIKeyBVFYGQQHCMYMOX-IYJPBCIQSA-N
XLogP1.71
TPSA117.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 50952972
1-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
CID 154820229
2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 155495850
2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 154823286
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
CID 146042201
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
CID 104651883
formic acid;4-[[(3S,4S)-4-[2-(4-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 171708775
4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
CID 154823831
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
N,N-dimethyl-4-[1-[(3S,4R)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]aniline;formic acid
CID 171711936
N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide
CID 95870932
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole
CID 146042373

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The IUPAC name of formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole (CID 155939260) is formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole.
What is the SMILES notation for formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The canonical SMILES for formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is CO[C@H]1COC[C@H]1n1ccnc1-c1ccc(Sc2nncn2C)o1.O=CO.
What is the InChIKey of formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
The InChIKey is BVFYGQQHCMYMOX-IYJPBCIQSA-N. The full InChI is InChI=1S/C15H17N5O3S.CH2O2/c1-19-9-17-18-15(19)24-13-4-3-11(23-13)14-16-5-6-20(14)10-7-22-8-12(10)21-2;2-1-3/h3-6,9-10,12H,7-8H2,1-2H3;1H,(H,2,3)/t10-,12+;/m1./s1.
What are the key properties of formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole?
formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole has a molecular weight of 393.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 155939260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).