(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide

C19H23N3O3 — CID 169259996

IUPAC(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1oc(CCCc2ccccc2)nc1C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C19H23N3O3/c1-13-17(19(24)22-12-6-10-15(22)18(20)23)21-16(25-13)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H2,20,23)/t15-/m0/s1
InChIKeyVOZSOJWPIBTDGN-HNNXBMFYSA-N
MW341.41 g/mol
LogP2.25
Rot. Bonds6

About (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 169259996) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID169259996
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1oc(CCCc2ccccc2)nc1C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C19H23N3O3/c1-13-17(19(24)22-12-6-10-15(22)18(20)23)21-16(25-13)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H2,20,23)/t15-/m0/s1
InChIKeyVOZSOJWPIBTDGN-HNNXBMFYSA-N
XLogP2.25
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide (CID 169259996) is (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide is Cc1oc(CCCc2ccccc2)nc1C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is VOZSOJWPIBTDGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-17(19(24)22-12-6-10-15(22)18(20)23)21-16(25-13)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H2,20,23)/t15-/m0/s1.
What are the key properties of (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 169259996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).