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

C20H25N3O3 — CID 110304954

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)CCCCc2ccccc2)no1
InChIInChI=1S/C20H25N3O3/c1-15-14-18(22-26-15)21-20(25)17-11-7-13-23(17)19(24)12-6-5-10-16-8-3-2-4-9-16/h2-4,8-9,14,17H,5-7,10-13H2,1H3,(H,21,22,25)/t17-/m0/s1
InChIKeyOEDPBTZLQYPIOW-KRWDZBQOSA-N
MW355.44 g/mol
LogP3.33
Rot. Bonds7

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

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide (PubChem CID 110304954) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
PubChem CID110304954
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)CCCCc2ccccc2)no1
InChIInChI=1S/C20H25N3O3/c1-15-14-18(22-26-15)21-20(25)17-11-7-13-23(17)19(24)12-6-5-10-16-8-3-2-4-9-16/h2-4,8-9,14,17H,5-7,10-13H2,1H3,(H,21,22,25)/t17-/m0/s1
InChIKeyOEDPBTZLQYPIOW-KRWDZBQOSA-N
XLogP3.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304952
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(4-methylphenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110304947
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 94182775
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284825
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304942
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304965

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide (CID 110304954) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)CCCCc2ccccc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide?
The InChIKey is OEDPBTZLQYPIOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-14-18(22-26-15)21-20(25)17-11-7-13-23(17)19(24)12-6-5-10-16-8-3-2-4-9-16/h2-4,8-9,14,17H,5-7,10-13H2,1H3,(H,21,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110304954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).