2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one

C21H23FN4O4 — CID 154994225

IUPAC2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one
SMILESCCON1Cc2cc(N3COc4cc(C(=O)N5CCC(C)(F)C5)[nH]c43)ccc2C1=O
InChIInChI=1S/C21H23FN4O4/c1-3-30-26-10-13-8-14(4-5-15(13)19(26)27)25-12-29-17-9-16(23-18(17)25)20(28)24-7-6-21(2,22)11-24/h4-5,8-9,23H,3,6-7,10-12H2,1-2H3
InChIKeyRBTSQFSPYRHQHH-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.98
Rot. Bonds4

About 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one

2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one (PubChem CID 154994225) has the molecular formula C21H23FN4O4 and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one
PubChem CID154994225
Molecular FormulaC21H23FN4O4
Molecular Weight414.44 g/mol
Exact Mass414.17
IUPAC Name2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one
SMILESCCON1Cc2cc(N3COc4cc(C(=O)N5CCC(C)(F)C5)[nH]c43)ccc2C1=O
InChIInChI=1S/C21H23FN4O4/c1-3-30-26-10-13-8-14(4-5-15(13)19(26)27)25-12-29-17-9-16(23-18(17)25)20(28)24-7-6-21(2,22)11-24/h4-5,8-9,23H,3,6-7,10-12H2,1-2H3
InChIKeyRBTSQFSPYRHQHH-UHFFFAOYSA-N
XLogP2.98
TPSA78.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[5-(2-fluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]benzoate
CID 154993928
Tert-butyl 4-[5-(2,2-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]benzoate
CID 154993931
5-[5-(3,3-Difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]isoindol-1-one
CID 154993957
4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide
CID 154993959
4-[5-(3,3-difluoro-4-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-N,2-dimethylbenzamide
CID 154994026
5-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methoxy-3H-isoindol-1-one
CID 154994222
6-[6-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2H-isoquinolin-1-one
CID 154994346
4-[6-(4,4-difluoropiperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-4-yl]-2-[(Z)-2-(methylamino)ethenyl]benzaldehyde
CID 154994397
(3,3-difluoropyrrolidin-1-yl)-[3-(6-hydroxy-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl)-2H-1,3-benzoxazol-6-yl]methanone
CID 154994546
1-[4-[5-(3-Fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methylphenyl]prop-2-en-1-one
CID 154994682
[3-(3-Fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 154995084
pyrrolidin-1-yl-[4-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]methanone
CID 154995097

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one?
The IUPAC name of 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one (CID 154994225) is 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one is CCON1Cc2cc(N3COc4cc(C(=O)N5CCC(C)(F)C5)[nH]c43)ccc2C1=O.
What is the InChIKey of 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one?
The InChIKey is RBTSQFSPYRHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4/c1-3-30-26-10-13-8-14(4-5-15(13)19(26)27)25-12-29-17-9-16(23-18(17)25)20(28)24-7-6-21(2,22)11-24/h4-5,8-9,23H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one?
2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one has a molecular weight of 414.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[5-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-3H-isoindol-1-one is sourced from PubChem (CID 154994225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).