3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C15H19N3O4 — CID 135094089

IUPAC3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1
InChIInChI=1S/C15H19N3O4/c19-13-9-18(14(20)10-17-5-6-22-15(17)21)8-12(13)7-11-1-3-16-4-2-11/h1-4,12-13,19H,5-10H2/t12-,13-/m1/s1
InChIKeyHWYOXKFAMVEGRC-CHWSQXEVSA-N
MW305.33 g/mol
LogP-0.10
Rot. Bonds4

About 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 135094089) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID135094089
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1
InChIInChI=1S/C15H19N3O4/c19-13-9-18(14(20)10-17-5-6-22-15(17)21)8-12(13)7-11-1-3-16-4-2-11/h1-4,12-13,19H,5-10H2/t12-,13-/m1/s1
InChIKeyHWYOXKFAMVEGRC-CHWSQXEVSA-N
XLogP-0.10
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 135094089) is 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1C[C@@H](Cc2ccncc2)[C@H](O)C1.
What is the InChIKey of 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is HWYOXKFAMVEGRC-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13-9-18(14(20)10-17-5-6-22-15(17)21)8-12(13)7-11-1-3-16-4-2-11/h1-4,12-13,19H,5-10H2/t12-,13-/m1/s1.
What are the key properties of 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 305.33 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135094089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).