3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

C11H9ClN2O — CID 83849643

IUPAC3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESClc1cccc(-c2onc3c2CNC3)c1
InChIInChI=1S/C11H9ClN2O/c12-8-3-1-2-7(4-8)11-9-5-13-6-10(9)14-15-11/h1-4,13H,5-6H2
InChIKeyJMWRSKPBDUCFQD-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.60
Rot. Bonds1

About 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (PubChem CID 83849643) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
PubChem CID83849643
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESClc1cccc(-c2onc3c2CNC3)c1
InChIInChI=1S/C11H9ClN2O/c12-8-3-1-2-7(4-8)11-9-5-13-6-10(9)14-15-11/h1-4,13H,5-6H2
InChIKeyJMWRSKPBDUCFQD-UHFFFAOYSA-N
XLogP2.60
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83849787
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83850624
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430
5-(3-chlorophenyl)-1,2-oxazol-4-amine
CID 82400734
[5-(3-chlorophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867906
5-(3-chlorophenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129462471
5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 64612280
3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (CID 83849643) is 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is Clc1cccc(-c2onc3c2CNC3)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The InChIKey is JMWRSKPBDUCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-8-3-1-2-7(4-8)11-9-5-13-6-10(9)14-15-11/h1-4,13H,5-6H2.
What are the key properties of 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole has a molecular weight of 220.66 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 83849643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).