(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

C18H17FN6O3 — CID 11211289

IUPAC(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN6O3/c1-24-22-17(21-23-24)16-6-3-11(8-20-16)14-5-4-12(7-15(14)19)25-9-13(10-27-2)28-18(25)26/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyAEFANRYENYLABF-CYBMUJFWSA-N
MW384.37 g/mol
LogP2.05
Rot. Bonds5

About (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 11211289) has the molecular formula C18H17FN6O3 and a molecular weight of 384.37 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID11211289
Molecular FormulaC18H17FN6O3
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN6O3/c1-24-22-17(21-23-24)16-6-3-11(8-20-16)14-5-4-12(7-15(14)19)25-9-13(10-27-2)28-18(25)26/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyAEFANRYENYLABF-CYBMUJFWSA-N
XLogP2.05
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 11211289) is (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is AEFANRYENYLABF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17FN6O3/c1-24-22-17(21-23-24)16-6-3-11(8-20-16)14-5-4-12(7-15(14)19)25-9-13(10-27-2)28-18(25)26/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 384.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11211289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).