3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

C21H19FN4O2S — CID 146099142

IUPAC3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)CN1C1CC1
InChIInChI=1S/C21H19FN4O2S/c22-15-6-8-17(9-7-15)26-19(14-4-2-1-3-5-14)23-24-20(26)29-13-18-12-25(16-10-11-16)21(27)28-18/h1-9,16,18H,10-13H2
InChIKeyZJHHXKCCSWOOEJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.15
Rot. Bonds6

About 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 146099142) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID146099142
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)CN1C1CC1
InChIInChI=1S/C21H19FN4O2S/c22-15-6-8-17(9-7-15)26-19(14-4-2-1-3-5-14)23-24-20(26)29-13-18-12-25(16-10-11-16)21(27)28-18/h1-9,16,18H,10-13H2
InChIKeyZJHHXKCCSWOOEJ-UHFFFAOYSA-N
XLogP4.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 17457233
1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1290939
2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8871074
3-benzylsulfanyl-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 2358983
N-(2,6-dimethylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16532097
(5R)-3,3-difluoro-5-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]oxolan-2-one
CID 124851666
N-tert-butyl-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2585981
N-(cyclopropylmethyl)-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31166024
3-benzylsulfanyl-5-(3-fluorophenyl)-4-(4-fluorophenyl)-1,2,4-triazole
CID 82017658
2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide
CID 7256924
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
3-[3-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propyl]imidazolidine-2,4-dione
CID 55996229

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (CID 146099142) is 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is O=C1OC(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)CN1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZJHHXKCCSWOOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c22-15-6-8-17(9-7-15)26-19(14-4-2-1-3-5-14)23-24-20(26)29-13-18-12-25(16-10-11-16)21(27)28-18/h1-9,16,18H,10-13H2.
What are the key properties of 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 410.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146099142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).