3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C20H18FN7O4 — CID 10003297

IUPAC3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(CO)C3)nn2)c(F)c1
InChIInChI=1S/C20H18FN7O4/c21-16-7-12(28-10-14(31-20(28)30)9-27-6-5-22-26-27)1-2-15(16)17-3-4-18(24-23-17)19-8-13(11-29)32-25-19/h1-7,13-14,29H,8-11H2
InChIKeyKFZPWLGBUPLTRD-UHFFFAOYSA-N
MW439.41 g/mol
LogP1.38
Rot. Bonds6

About 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10003297) has the molecular formula C20H18FN7O4 and a molecular weight of 439.41 g/mol. Its IUPAC name is 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10003297
Molecular FormulaC20H18FN7O4
Molecular Weight439.41 g/mol
Exact Mass439.14
IUPAC Name3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(CO)C3)nn2)c(F)c1
InChIInChI=1S/C20H18FN7O4/c21-16-7-12(28-10-14(31-20(28)30)9-27-6-5-22-26-27)1-2-15(16)17-3-4-18(24-23-17)19-8-13(11-29)32-25-19/h1-7,13-14,29H,8-11H2
InChIKeyKFZPWLGBUPLTRD-UHFFFAOYSA-N
XLogP1.38
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-(3-fluoro-4-{6-[(1R)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11603378
(5R)-3-(3-fluoro-4-{6-[(1S)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23624703
(5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626439
(5R)-3-{4-[6-(1,2-dihydroxyethyl)pyridin-3-yl]-3-fluorophenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11632704
(5R)-3-(4-{6-[2-(dimethylamino)-1-hydroxyethyl]pyridin-3-yl}-3-fluorophenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11661838
(5R)-3-{3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626438
(5R)-3-{2,3'-Difluoro-4'-[5-(hydroxymethyl)-4,5-dihydroisoxazol-3-yl]-1,1'-biphenyl-4-yl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 9911843
(5R)-3-(3-Fluoro-4-{6-[(5S)-5-(hydroxymethyl)-4,5-dihydroisoxazol-3-yl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 9932836
2-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]triazol-2-yl]acetonitrile
CID 9976287
(5R)-3-[4'-(4,5-dihydroisoxazol-3-yl)-2-fluoro-1,1'-biphenyl-4-yl]-5-[(4-methyl-1H-1,2,3-triazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 9979575
(5R)-3-[4-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-fluorophenyl]-5-[(4-methyl-1H-1,2,3-triazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 10071508
(5R)-3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 10073928

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10003297) is 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(CO)C3)nn2)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is KFZPWLGBUPLTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O4/c21-16-7-12(28-10-14(31-20(28)30)9-27-6-5-22-26-27)1-2-15(16)17-3-4-18(24-23-17)19-8-13(11-29)32-25-19/h1-7,13-14,29H,8-11H2.
What are the key properties of 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 439.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridazin-3-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10003297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).