(4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one

C21H17FN4O2 — CID 133081526

IUPAC(4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCc1ccnn1CC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C21H17FN4O2/c1-14-7-8-24-26(14)9-3-4-15-10-17(13-23-12-15)19-20(28-21(27)25-19)16-5-2-6-18(22)11-16/h2,5-8,10-13,19-20H,9H2,1H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyKIGSGXJHWULDRR-WOJBJXKFSA-N
MW376.39 g/mol
LogP3.30
Rot. Bonds3

About (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 133081526) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID133081526
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name(4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCc1ccnn1CC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1
InChIInChI=1S/C21H17FN4O2/c1-14-7-8-24-26(14)9-3-4-15-10-17(13-23-12-15)19-20(28-21(27)25-19)16-5-2-6-18(22)11-16/h2,5-8,10-13,19-20H,9H2,1H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyKIGSGXJHWULDRR-WOJBJXKFSA-N
XLogP3.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one (CID 133081526) is (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one is Cc1ccnn1CC#Cc1cncc([C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)c1.
What is the InChIKey of (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is KIGSGXJHWULDRR-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-14-7-8-24-26(14)9-3-4-15-10-17(13-23-12-15)19-20(28-21(27)25-19)16-5-2-6-18(22)11-16/h2,5-8,10-13,19-20H,9H2,1H3,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 376.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-fluorophenyl)-4-[5-[3-(5-methylpyrazol-1-yl)prop-1-ynyl]-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133081526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).