2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C13H16N2O2 — CID 83208452

IUPAC2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3cnoc3)cc21
InChIInChI=1S/C13H16N2O2/c16-13-4-2-1-3-11-7-15(8-12(11)13)6-10-5-14-17-9-10/h5,7-9,13,16H,1-4,6H2
InChIKeyAJDNIMYXHUKHBE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.28
Rot. Bonds2

About 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208452) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208452
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3cnoc3)cc21
InChIInChI=1S/C13H16N2O2/c16-13-4-2-1-3-11-7-15(8-12(11)13)6-10-5-14-17-9-10/h5,7-9,13,16H,1-4,6H2
InChIKeyAJDNIMYXHUKHBE-UHFFFAOYSA-N
XLogP2.28
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208249
2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 112641658
2-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83210596
4-[(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)methyl]benzoic acid
CID 83210414
2-[(3,5-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 105405060
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208166
2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83210233
4-[(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)methyl]pyridine-2-carbonitrile
CID 83207873
2-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208064
2-[(5-ethylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208564
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208338
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208640

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208452) is 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(Cc3cnoc3)cc21.
What is the InChIKey of 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is AJDNIMYXHUKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13-4-2-1-3-11-7-15(8-12(11)13)6-10-5-14-17-9-10/h5,7-9,13,16H,1-4,6H2.
What are the key properties of 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 232.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).