4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide

C17H17FN4O3 — CID 154993959

IUPAC4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2COc3cc(C(=O)N4CCC4)[nH]c32)cc1F
InChIInChI=1S/C17H17FN4O3/c1-19-16(23)11-4-3-10(7-12(11)18)22-9-25-14-8-13(20-15(14)22)17(24)21-5-2-6-21/h3-4,7-8,20H,2,5-6,9H2,1H3,(H,19,23)
InChIKeyMAMAYWAQXLTGDJ-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.85
Rot. Bonds3

About 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide

4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide (PubChem CID 154993959) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide
PubChem CID154993959
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2COc3cc(C(=O)N4CCC4)[nH]c32)cc1F
InChIInChI=1S/C17H17FN4O3/c1-19-16(23)11-4-3-10(7-12(11)18)22-9-25-14-8-13(20-15(14)22)17(24)21-5-2-6-21/h3-4,7-8,20H,2,5-6,9H2,1H3,(H,19,23)
InChIKeyMAMAYWAQXLTGDJ-UHFFFAOYSA-N
XLogP1.85
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide 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
4-[5-(2-fluoroazetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-(2-methylhydrazinyl)-2H-pyridine-1-carbaldehyde
CID 154993953
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-(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
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
2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one
CID 154994334
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
(3,3-Difluoropyrrolidin-1-yl)-[3-[4-[ethylamino(hydroxy)methyl]-3-hydroxyphenyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone
CID 154994388
4-[5-(4,4-Difluoropiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]benzoic acid
CID 154994515
4-[5-(3-Fluoropiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]benzoic acid
CID 154994519

Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide (CID 154993959) is 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(N2COc3cc(C(=O)N4CCC4)[nH]c32)cc1F.
What is the InChIKey of 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is MAMAYWAQXLTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-19-16(23)11-4-3-10(7-12(11)18)22-9-25-14-8-13(20-15(14)22)17(24)21-5-2-6-21/h3-4,7-8,20H,2,5-6,9H2,1H3,(H,19,23).
What are the key properties of 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide?
4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 344.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(azetidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 154993959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).