N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C19H21N5O4 — CID 74241052

IUPACN-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)no1
InChIInChI=1S/C19H21N5O4/c1-12-9-15(21-28-12)16-7-4-8-23(16)18(26)20-13-5-3-6-14(10-13)24-17(25)11-22(2)19(24)27/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,20,26)
InChIKeyYJIVZWSVRZDQPU-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.75
Rot. Bonds3

About N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 74241052) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID74241052
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)no1
InChIInChI=1S/C19H21N5O4/c1-12-9-15(21-28-12)16-7-4-8-23(16)18(26)20-13-5-3-6-14(10-13)24-17(25)11-22(2)19(24)27/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,20,26)
InChIKeyYJIVZWSVRZDQPU-UHFFFAOYSA-N
XLogP2.75
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 95157820
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 125179035
2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118789446
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 97444027
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 118784987
2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrrolidine-1-carboxamide
CID 118779738
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
(2S)-N-(3-chlorophenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070304

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 74241052) is N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)no1.
What is the InChIKey of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is YJIVZWSVRZDQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-12-9-15(21-28-12)16-7-4-8-23(16)18(26)20-13-5-3-6-14(10-13)24-17(25)11-22(2)19(24)27/h3,5-6,9-10,16H,4,7-8,11H2,1-2H3,(H,20,26).
What are the key properties of N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 74241052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).