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

C17H16FN7O2 — CID 52916243

IUPAC(5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CN)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C17H16FN7O2/c1-24-22-16(21-23-24)15-5-2-10(8-20-15)13-4-3-11(6-14(13)18)25-9-12(7-19)27-17(25)26/h2-6,8,12H,7,9,19H2,1H3/t12-/m0/s1
InChIKeyNCLNRGZURMLHLH-LBPRGKRZSA-N
MW369.36 g/mol
LogP1.36
Rot. Bonds4

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

(5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 52916243) has the molecular formula C17H16FN7O2 and a molecular weight of 369.36 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID52916243
Molecular FormulaC17H16FN7O2
Molecular Weight369.36 g/mol
Exact Mass369.13
IUPAC Name(5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CN)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C17H16FN7O2/c1-24-22-16(21-23-24)15-5-2-10(8-20-15)13-4-3-11(6-14(13)18)25-9-12(7-19)27-17(25)26/h2-6,8,12H,7,9,19H2,1H3/t12-/m0/s1
InChIKeyNCLNRGZURMLHLH-LBPRGKRZSA-N
XLogP1.36
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 52916243) is (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CN)OC4=O)cc3F)cn2)n1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is NCLNRGZURMLHLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FN7O2/c1-24-22-16(21-23-24)15-5-2-10(8-20-15)13-4-3-11(6-14(13)18)25-9-12(7-19)27-17(25)26/h2-6,8,12H,7,9,19H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 369.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 52916243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).