3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C18H17FN6O3 — CID 78105087

IUPAC3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCn1cc(Nc2ccc(-c3ccc(N4CC(CO)OC4=O)cc3F)cn2)nn1
InChIInChI=1S/C18H17FN6O3/c1-24-9-17(22-23-24)21-16-5-2-11(7-20-16)14-4-3-12(6-15(14)19)25-8-13(10-26)28-18(25)27/h2-7,9,13,26H,8,10H2,1H3,(H,20,21)
InChIKeyQATRUGQAUADKNU-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.08
Rot. Bonds5

About 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 78105087) has the molecular formula C18H17FN6O3 and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID78105087
Molecular FormulaC18H17FN6O3
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCn1cc(Nc2ccc(-c3ccc(N4CC(CO)OC4=O)cc3F)cn2)nn1
InChIInChI=1S/C18H17FN6O3/c1-24-9-17(22-23-24)21-16-5-2-11(7-20-16)14-4-3-12(6-15(14)19)25-8-13(10-26)28-18(25)27/h2-7,9,13,26H,8,10H2,1H3,(H,20,21)
InChIKeyQATRUGQAUADKNU-UHFFFAOYSA-N
XLogP2.08
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72791370
(5R)-3-[3-fluoro-4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11440117
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
[(5R)-3-[3-fluoro-4-[6-(2H-triazol-4-ylamino)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy-methylphosphinic acid
CID 90350812
N'-[amino(methyl)amino]-5-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidamide
CID 145042320
3-[3-fluoro-4-[2-(1-methylpyrazol-3-yl)-1,3-dihydroisoindol-5-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 78104715
N'-[amino(methyl)amino]-5-[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyridine-2-carboximidamide;ethane
CID 145042319
(5S)-3-[4-[6-(2-ethyltetrazol-5-yl)-3-pyridinyl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;phosphoric acid
CID 175794028
(5S)-5-ethyl-3-[4-(4-ethylphenyl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59264706
5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 72752411
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]benzamide
CID 158273364
(5R)-3-[3-fluoro-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 155004518

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 78105087) is 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is Cn1cc(Nc2ccc(-c3ccc(N4CC(CO)OC4=O)cc3F)cn2)nn1.
What is the InChIKey of 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QATRUGQAUADKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O3/c1-24-9-17(22-23-24)21-16-5-2-11(7-20-16)14-4-3-12(6-15(14)19)25-8-13(10-26)28-18(25)27/h2-7,9,13,26H,8,10H2,1H3,(H,20,21).
What are the key properties of 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 384.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[6-[(1-methyltriazol-4-yl)amino]-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 78105087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).