2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide

C18H22N4O3 — CID 99636556

IUPAC2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide
SMILESCCc1onc(C)c1NC(=O)C(=O)N1CC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c1-3-15-16(12(2)21-25-15)20-17(23)18(24)22-10-9-14(11-22)19-13-7-5-4-6-8-13/h4-8,14,19H,3,9-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyDHMKUFLKFZTDTF-AWEZNQCLSA-N
MW342.40 g/mol
LogP2.20
Rot. Bonds4

About 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide

2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide (PubChem CID 99636556) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide
PubChem CID99636556
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide
SMILESCCc1onc(C)c1NC(=O)C(=O)N1CC[C@H](Nc2ccccc2)C1
InChIInChI=1S/C18H22N4O3/c1-3-15-16(12(2)21-25-15)20-17(23)18(24)22-10-9-14(11-22)19-13-7-5-4-6-8-13/h4-8,14,19H,3,9-11H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyDHMKUFLKFZTDTF-AWEZNQCLSA-N
XLogP2.20
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 124514067
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-phenylpyrrolidine-1-carboxamide
CID 50808840
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 95239711
1-(3-anilinopyrrolidin-1-yl)-2-(4-tert-butylphenyl)ethane-1,2-dione
CID 56502423
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102685
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
2-(3-anilinopyrrolidin-1-yl)-2-oxo-N-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]acetamide
CID 166240926
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
N'-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
CID 75510573
(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 97004864
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide?
The IUPAC name of 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide (CID 99636556) is 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide is CCc1onc(C)c1NC(=O)C(=O)N1CC[C@H](Nc2ccccc2)C1.
What is the InChIKey of 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide?
The InChIKey is DHMKUFLKFZTDTF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-15-16(12(2)21-25-15)20-17(23)18(24)22-10-9-14(11-22)19-13-7-5-4-6-8-13/h4-8,14,19H,3,9-11H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide?
2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide has a molecular weight of 342.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 99636556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).