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

C15H23N3O3 — CID 124839563

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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Related Compounds

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031787
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100836454
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 127620950
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
(2R)-2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119112336
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 95976030
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124830290
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 127322889
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 111427958

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).