3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C11H13N3O3S — CID 164631000

IUPAC3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cscn1)N1CC[C@H](N2CCOC2=O)C1
InChIInChI=1S/C11H13N3O3S/c15-10(9-6-18-7-12-9)13-2-1-8(5-13)14-3-4-17-11(14)16/h6-8H,1-5H2/t8-/m0/s1
InChIKeyAKACAAPFLXXMGJ-QMMMGPOBSA-N
MW267.31 g/mol
LogP0.81
Rot. Bonds2

About 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 164631000) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID164631000
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1cscn1)N1CC[C@H](N2CCOC2=O)C1
InChIInChI=1S/C11H13N3O3S/c15-10(9-6-18-7-12-9)13-2-1-8(5-13)14-3-4-17-11(14)16/h6-8H,1-5H2/t8-/m0/s1
InChIKeyAKACAAPFLXXMGJ-QMMMGPOBSA-N
XLogP0.81
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 164631000) is 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one is O=C(c1cscn1)N1CC[C@H](N2CCOC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is AKACAAPFLXXMGJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-10(9-6-18-7-12-9)13-2-1-8(5-13)14-3-4-17-11(14)16/h6-8H,1-5H2/t8-/m0/s1.
What are the key properties of 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 267.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164631000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).