(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide

C13H21N3O2 — CID 95052097

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@@H]1c1c(C)noc1C
InChIInChI=1S/C13H21N3O2/c1-4-7-14-13(17)16-8-5-6-11(16)12-9(2)15-18-10(12)3/h11H,4-8H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyMTFIVSUUJJPGTR-LLVKDONJSA-N
MW251.33 g/mol
LogP2.55
Rot. Bonds3

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide (PubChem CID 95052097) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
PubChem CID95052097
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@@H]1c1c(C)noc1C
InChIInChI=1S/C13H21N3O2/c1-4-7-14-13(17)16-8-5-6-11(16)12-9(2)15-18-10(12)3/h11H,4-8H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyMTFIVSUUJJPGTR-LLVKDONJSA-N
XLogP2.55
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126423001
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide
CID 126443740
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894227
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 119072941
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 126450301
methyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894383
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894249
3-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 118771308
ethyl 2-[[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 92894354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide (CID 95052097) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC[C@@H]1c1c(C)noc1C.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is MTFIVSUUJJPGTR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-7-14-13(17)16-8-5-6-11(16)12-9(2)15-18-10(12)3/h11H,4-8H2,1-3H3,(H,14,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95052097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).