(4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one

C10H17N5O2 — CID 59135107

IUPAC(4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2nnn(C)n2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C10H17N5O2/c1-6-7(8-11-13-14(5)12-8)17-9(16)15(6)10(2,3)4/h6-7H,1-5H3/t6-,7-/m0/s1
InChIKeyHWDYMKWRHFJUOK-BQBZGAKWSA-N
MW239.28 g/mol
LogP0.89
Rot. Bonds1

About (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one

(4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one (PubChem CID 59135107) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one
PubChem CID59135107
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name(4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2nnn(C)n2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C10H17N5O2/c1-6-7(8-11-13-14(5)12-8)17-9(16)15(6)10(2,3)4/h6-7H,1-5H3/t6-,7-/m0/s1
InChIKeyHWDYMKWRHFJUOK-BQBZGAKWSA-N
XLogP0.89
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one (CID 59135107) is (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2nnn(C)n2)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one?
The InChIKey is HWDYMKWRHFJUOK-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-7(8-11-13-14(5)12-8)17-9(16)15(6)10(2,3)4/h6-7H,1-5H3/t6-,7-/m0/s1.
What are the key properties of (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one?
(4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one has a molecular weight of 239.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).