(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C20H24FN3O3 — CID 110304952

IUPAC(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)CCCCc2ccc(F)cc2)no1
InChIInChI=1S/C20H24FN3O3/c1-14-13-18(23-27-14)22-20(26)17-6-4-12-24(17)19(25)7-3-2-5-15-8-10-16(21)11-9-15/h8-11,13,17H,2-7,12H2,1H3,(H,22,23,26)/t17-/m0/s1
InChIKeyMIVRBWVZKCHKNO-KRWDZBQOSA-N
MW373.43 g/mol
LogP3.46
Rot. Bonds7

About (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 110304952) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID110304952
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2C(=O)CCCCc2ccc(F)cc2)no1
InChIInChI=1S/C20H24FN3O3/c1-14-13-18(23-27-14)22-20(26)17-6-4-12-24(17)19(25)7-3-2-5-15-8-10-16(21)11-9-15/h8-11,13,17H,2-7,12H2,1H3,(H,22,23,26)/t17-/m0/s1
InChIKeyMIVRBWVZKCHKNO-KRWDZBQOSA-N
XLogP3.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.46
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)-N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(4-methylphenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110304947
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110353842
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304942
(2S)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoyl]-N-[4-(4-fluorophenoxy)phenyl]pyrrolidine-2-carboxamide
CID 143979015
1-(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624659
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304965
(2S)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-hexanoylpyrrolidine-2-carboxamide
CID 7288689

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 110304952) is (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)CCCCc2ccc(F)cc2)no1.
What is the InChIKey of (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is MIVRBWVZKCHKNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-14-13-18(23-27-14)22-20(26)17-6-4-12-24(17)19(25)7-3-2-5-15-8-10-16(21)11-9-15/h8-11,13,17H,2-7,12H2,1H3,(H,22,23,26)/t17-/m0/s1.
What are the key properties of (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110304952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).