4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one

C19H17FN4O2S — CID 87780395

IUPAC4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCn1c(C(S)C2COC(=O)N2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H17FN4O2S/c1-24-16(12-6-8-21-9-7-12)15(11-2-4-13(20)5-3-11)23-18(24)17(27)14-10-26-19(25)22-14/h2-9,14,17,27H,10H2,1H3,(H,22,25)
InChIKeyUTQFQDLMEWEKDD-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.37
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one

4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 87780395) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID87780395
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCn1c(C(S)C2COC(=O)N2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H17FN4O2S/c1-24-16(12-6-8-21-9-7-12)15(11-2-4-13(20)5-3-11)23-18(24)17(27)14-10-26-19(25)22-14/h2-9,14,17,27H,10H2,1H3,(H,22,25)
InChIKeyUTQFQDLMEWEKDD-UHFFFAOYSA-N
XLogP3.37
TPSA69.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one (CID 87780395) is 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one is Cn1c(C(S)C2COC(=O)N2)nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is UTQFQDLMEWEKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-24-16(12-6-8-21-9-7-12)15(11-2-4-13(20)5-3-11)23-18(24)17(27)14-10-26-19(25)22-14/h2-9,14,17,27H,10H2,1H3,(H,22,25).
What are the key properties of 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one?
4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 384.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]-sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 87780395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).