3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole

C12H11ClN2O2 — CID 3545771

IUPAC3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCOc1ccc(Cl)cc1-c1noc2c1CCN2
InChIInChI=1S/C12H11ClN2O2/c1-16-10-3-2-7(13)6-9(10)11-8-4-5-14-12(8)17-15-11/h2-3,6,14H,4-5H2,1H3
InChIKeyWBJXKHWPWQCHAT-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.97
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole

3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (PubChem CID 3545771) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
PubChem CID3545771
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
SMILESCOc1ccc(Cl)cc1-c1noc2c1CCN2
InChIInChI=1S/C12H11ClN2O2/c1-16-10-3-2-7(13)6-9(10)11-8-4-5-14-12(8)17-15-11/h2-3,6,14H,4-5H2,1H3
InChIKeyWBJXKHWPWQCHAT-UHFFFAOYSA-N
XLogP2.97
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
CID 3589042
[3-(5-chloro-2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 11747157
3-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3576181
3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538095
2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 142007278
3-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 3553129
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 19332731
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3979622
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 67357807
4-(5-chloro-2-methoxyphenyl)-3-cyclopentyl-1,2-oxazol-5-amine
CID 43336109

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (CID 3545771) is 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is COc1ccc(Cl)cc1-c1noc2c1CCN2.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The InChIKey is WBJXKHWPWQCHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-10-3-2-7(13)6-9(10)11-8-4-5-14-12(8)17-15-11/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole has a molecular weight of 250.69 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is sourced from PubChem (CID 3545771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).