2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C14H19N3O2 — CID 83208338

IUPAC2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCCc1nc(Cn2cc3c(c2)C(O)CCCC3)no1
InChIInChI=1S/C14H19N3O2/c1-2-14-15-13(16-19-14)9-17-7-10-5-3-4-6-12(18)11(10)8-17/h7-8,12,18H,2-6,9H2,1H3
InChIKeyIUMPPLBKEXSEHM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds3

About 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208338) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208338
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCCc1nc(Cn2cc3c(c2)C(O)CCCC3)no1
InChIInChI=1S/C14H19N3O2/c1-2-14-15-13(16-19-14)9-17-7-10-5-3-4-6-12(18)11(10)8-17/h7-8,12,18H,2-6,9H2,1H3
InChIKeyIUMPPLBKEXSEHM-UHFFFAOYSA-N
XLogP2.24
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213255
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-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83210596
2-(2-ethylsulfonylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208567
2-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 112641658
2-(1,2-oxazol-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83208452
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337641
2-(2,2-diethoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 114459612
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83210466
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
4-[(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)methyl]benzoic acid
CID 83210414
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208053

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208338) is 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is CCc1nc(Cn2cc3c(c2)C(O)CCCC3)no1.
What is the InChIKey of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is IUMPPLBKEXSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-14-15-13(16-19-14)9-17-7-10-5-3-4-6-12(18)11(10)8-17/h7-8,12,18H,2-6,9H2,1H3.
What are the key properties of 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 261.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).