azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone

C15H14FN3O2 — CID 154995165

IUPACazetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone
SMILESO=C(c1cc2c([nH]1)N(c1cccc(F)c1)CO2)N1CCC1
InChIInChI=1S/C15H14FN3O2/c16-10-3-1-4-11(7-10)19-9-21-13-8-12(17-14(13)19)15(20)18-5-2-6-18/h1,3-4,7-8,17H,2,5-6,9H2
InChIKeyZTLXVCQUQCKXQI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.49
Rot. Bonds2

About azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone

azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone (PubChem CID 154995165) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone
PubChem CID154995165
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Nameazetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone
SMILESO=C(c1cc2c([nH]1)N(c1cccc(F)c1)CO2)N1CCC1
InChIInChI=1S/C15H14FN3O2/c16-10-3-1-4-11(7-10)19-9-21-13-8-12(17-14(13)19)15(20)18-5-2-6-18/h1,3-4,7-8,17H,2,5-6,9H2
InChIKeyZTLXVCQUQCKXQI-UHFFFAOYSA-N
XLogP2.49
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-4-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-(methoxymethylhydrazinylidene)pyridine-1-carbaldehyde
CID 154993946
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-(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
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
N-(2-fluoro-2-methylpropyl)-3-[1-formyl-2-(2-methylhydrazinyl)-2H-pyridin-4-yl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazole-5-carboxamide
CID 154995051
[4-(3,4-difluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154995064
[4-(4-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154995078
[3-(3-Fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 154995084
[4-(2-fluorophenyl)-3,5-dihydro-2H-pyrrolo[3,2-b][1,4]oxazin-6-yl]-pyrrolidin-1-ylmethanone
CID 154995095
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 azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone (CID 154995165) is azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone is O=C(c1cc2c([nH]1)N(c1cccc(F)c1)CO2)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone?
The InChIKey is ZTLXVCQUQCKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-10-3-1-4-11(7-10)19-9-21-13-8-12(17-14(13)19)15(20)18-5-2-6-18/h1,3-4,7-8,17H,2,5-6,9H2.
What are the key properties of azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone?
azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone has a molecular weight of 287.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(3-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]methanone is sourced from PubChem (CID 154995165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).