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(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide

C15H23N3O3 — CID 124839563

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)on1
InChIInChI=1S/C15H23N3O3/c1-10-9-14(21-17-10)12-5-3-7-18(12)15(19)16-11(2)13-6-4-8-20-13/h9,11-13H,3-8H2,1-2H3,(H,16,19)/t11-,12+,13-/m1/s1
InChIKeyAEALYVQZSYPXDC-FRRDWIJNSA-N
MW293.37 g/mol
LogP2.40
Rot. Bonds3

About (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide

(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 124839563) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID124839563
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)on1
InChIInChI=1S/C15H23N3O3/c1-10-9-14(21-17-10)12-5-3-7-18(12)15(19)16-11(2)13-6-4-8-20-13/h9,11-13H,3-8H2,1-2H3,(H,16,19)/t11-,12+,13-/m1/s1
InChIKeyAEALYVQZSYPXDC-FRRDWIJNSA-N
XLogP2.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide (CID 124839563) is (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide is Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)on1.
What is the InChIKey of (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is AEALYVQZSYPXDC-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-9-14(21-17-10)12-5-3-7-18(12)15(19)16-11(2)13-6-4-8-20-13/h9,11-13H,3-8H2,1-2H3,(H,16,19)/t11-,12+,13-/m1/s1.
What are the key properties of (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide?
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124839563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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