2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C24H27FN4O4 — CID 134082815

IUPAC2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN1C(=O)C2ON(CC(=O)NCCc3ccc(F)cc3)C(c3ccc(N(C)C)cc3)C2C1=O
InChIInChI=1S/C24H27FN4O4/c1-27(2)18-10-6-16(7-11-18)21-20-22(24(32)28(3)23(20)31)33-29(21)14-19(30)26-13-12-15-4-8-17(25)9-5-15/h4-11,20-22H,12-14H2,1-3H3,(H,26,30)
InChIKeyWXQOJIILWQOVMF-UHFFFAOYSA-N
MW454.50 g/mol
LogP1.52
Rot. Bonds7

About 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 134082815) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID134082815
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCN1C(=O)C2ON(CC(=O)NCCc3ccc(F)cc3)C(c3ccc(N(C)C)cc3)C2C1=O
InChIInChI=1S/C24H27FN4O4/c1-27(2)18-10-6-16(7-11-18)21-20-22(24(32)28(3)23(20)31)33-29(21)14-19(30)26-13-12-15-4-8-17(25)9-5-15/h4-11,20-22H,12-14H2,1-3H3,(H,26,30)
InChIKeyWXQOJIILWQOVMF-UHFFFAOYSA-N
XLogP1.52
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 8863393
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756687
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014680
2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 46981421
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 134082815) is 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CN1C(=O)C2ON(CC(=O)NCCc3ccc(F)cc3)C(c3ccc(N(C)C)cc3)C2C1=O.
What is the InChIKey of 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is WXQOJIILWQOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-27(2)18-10-6-16(7-11-18)21-20-22(24(32)28(3)23(20)31)33-29(21)14-19(30)26-13-12-15-4-8-17(25)9-5-15/h4-11,20-22H,12-14H2,1-3H3,(H,26,30).
What are the key properties of 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 454.50 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(dimethylamino)phenyl]-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 134082815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).