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

C18H19N7O2 — CID 71064226

IUPAC(5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc(-c3nnn(C)n3)nc2)ccc1N1C[C@H](CN)OC1=O
InChIInChI=1S/C18H19N7O2/c1-11-7-12(4-6-16(11)25-10-14(8-19)27-18(25)26)13-3-5-15(20-9-13)17-21-23-24(2)22-17/h3-7,9,14H,8,10,19H2,1-2H3/t14-/m0/s1
InChIKeyGUYMKAFJJSDROX-AWEZNQCLSA-N
MW365.40 g/mol
LogP1.53
Rot. Bonds4

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

(5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 71064226) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID71064226
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name(5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc(-c3nnn(C)n3)nc2)ccc1N1C[C@H](CN)OC1=O
InChIInChI=1S/C18H19N7O2/c1-11-7-12(4-6-16(11)25-10-14(8-19)27-18(25)26)13-3-5-15(20-9-13)17-21-23-24(2)22-17/h3-7,9,14H,8,10,19H2,1-2H3/t14-/m0/s1
InChIKeyGUYMKAFJJSDROX-AWEZNQCLSA-N
XLogP1.53
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.53
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-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 71064226) is (5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is Cc1cc(-c2ccc(-c3nnn(C)n3)nc2)ccc1N1C[C@H](CN)OC1=O.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is GUYMKAFJJSDROX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-11-7-12(4-6-16(11)25-10-14(8-19)27-18(25)26)13-3-5-15(20-9-13)17-21-23-24(2)22-17/h3-7,9,14H,8,10,19H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 365.40 g/mol, XLogP of 1.53, 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-[2-methyl-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71064226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).