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

C17H14F2N6O2 — CID 11210968

IUPAC(5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CF)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C17H14F2N6O2/c1-24-22-16(21-23-24)15-5-2-10(8-20-15)13-4-3-11(6-14(13)19)25-9-12(7-18)27-17(25)26/h2-6,8,12H,7,9H2,1H3/t12-/m0/s1
InChIKeyQGRQECWXYVPBQR-LBPRGKRZSA-N
MW372.34 g/mol
LogP2.37
Rot. Bonds4

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

(5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 11210968) has the molecular formula C17H14F2N6O2 and a molecular weight of 372.34 g/mol. Its IUPAC name is (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID11210968
Molecular FormulaC17H14F2N6O2
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Name(5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CF)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C17H14F2N6O2/c1-24-22-16(21-23-24)15-5-2-10(8-20-15)13-4-3-11(6-14(13)19)25-9-12(7-18)27-17(25)26/h2-6,8,12H,7,9H2,1H3/t12-/m0/s1
InChIKeyQGRQECWXYVPBQR-LBPRGKRZSA-N
XLogP2.37
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 11210968) is (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CF)OC4=O)cc3F)cn2)n1.
What is the InChIKey of (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is QGRQECWXYVPBQR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14F2N6O2/c1-24-22-16(21-23-24)15-5-2-10(8-20-15)13-4-3-11(6-14(13)19)25-9-12(7-18)27-17(25)26/h2-6,8,12H,7,9H2,1H3/t12-/m0/s1.
What are the key properties of (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 372.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11210968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).