(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide

C17H21N3O2 — CID 94182775

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)no1
InChIInChI=1S/C17H21N3O2/c1-13-12-16(19-22-13)18-17(21)20-11-5-8-15(20)10-9-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,18,19,21)/t15-/m1/s1
InChIKeyRLPQVBNOCOBOHG-OAHLLOKOSA-N
MW299.37 g/mol
LogP3.61
Rot. Bonds4

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 94182775) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID94182775
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)no1
InChIInChI=1S/C17H21N3O2/c1-13-12-16(19-22-13)18-17(21)20-11-5-8-15(20)10-9-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,18,19,21)/t15-/m1/s1
InChIKeyRLPQVBNOCOBOHG-OAHLLOKOSA-N
XLogP3.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94651832
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47125609
2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 48953190
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 95578829
(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 95932321
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137458
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 94182775) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is RLPQVBNOCOBOHG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-12-16(19-22-13)18-17(21)20-11-5-8-15(20)10-9-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,18,19,21)/t15-/m1/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94182775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).