(5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C19H15F2N9O2 — CID 11247640

IUPAC(5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1nnnc1-c1ccc(-c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C19H15F2N9O2/c1-28-18(24-25-27-28)16-3-2-11(8-22-16)17-14(20)6-12(7-15(17)21)30-10-13(32-19(30)31)9-29-5-4-23-26-29/h2-8,13H,9-10H2,1H3/t13-/m0/s1
InChIKeyAACLQNQJNRUJSD-ZDUSSCGKSA-N
MW439.39 g/mol
LogP1.83
Rot. Bonds5

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

(5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11247640) has the molecular formula C19H15F2N9O2 and a molecular weight of 439.39 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11247640
Molecular FormulaC19H15F2N9O2
Molecular Weight439.39 g/mol
Exact Mass439.13
IUPAC Name(5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1nnnc1-c1ccc(-c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C19H15F2N9O2/c1-28-18(24-25-27-28)16-3-2-11(8-22-16)17-14(20)6-12(7-15(17)21)30-10-13(32-19(30)31)9-29-5-4-23-26-29/h2-8,13H,9-10H2,1H3/t13-/m0/s1
InChIKeyAACLQNQJNRUJSD-ZDUSSCGKSA-N
XLogP1.83
TPSA116.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11247640) is (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cn1nnnc1-c1ccc(-c2c(F)cc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is AACLQNQJNRUJSD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15F2N9O2/c1-28-18(24-25-27-28)16-3-2-11(8-22-16)17-14(20)6-12(7-15(17)21)30-10-13(32-19(30)31)9-29-5-4-23-26-29/h2-8,13H,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 439.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3,5-difluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11247640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).