1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol

C13H15BrN2O2 — CID 90889085

IUPAC1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol
SMILESOC1(C2C=C(c3ccc(Br)cn3)NO2)CCCC1
InChIInChI=1S/C13H15BrN2O2/c14-9-3-4-10(15-8-9)11-7-12(18-16-11)13(17)5-1-2-6-13/h3-4,7-8,12,16-17H,1-2,5-6H2
InChIKeyHIEHPAQLLOEQSM-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.39
Rot. Bonds2

About 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol

1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol (PubChem CID 90889085) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol
PubChem CID90889085
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol
SMILESOC1(C2C=C(c3ccc(Br)cn3)NO2)CCCC1
InChIInChI=1S/C13H15BrN2O2/c14-9-3-4-10(15-8-9)11-7-12(18-16-11)13(17)5-1-2-6-13/h3-4,7-8,12,16-17H,1-2,5-6H2
InChIKeyHIEHPAQLLOEQSM-UHFFFAOYSA-N
XLogP2.39
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 91136720
2-[[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]ethanol
CID 91342225
[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl ditert-butyl phosphate
CID 91156065
[(5S)-3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
CID 90830792
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
5-bromo-2-(5-bromo-2-pyridinyl)pyridine;dichloropalladium
CID 175701869
4-[(5-bromo-2-pyridinyl)methyl]oxepan-4-ol
CID 104802124
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-bromo-2-pyridinyl)methanone
CID 81097012
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
3-(5-bromo-2-pyridinyl)-5-[(1R,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl]-1,2,4-oxadiazole
CID 167765873
1-[1-[4-(5-bromo-2-pyridinyl)phenyl]cyclopropyl]ethanone
CID 118602864
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol (CID 90889085) is 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol is OC1(C2C=C(c3ccc(Br)cn3)NO2)CCCC1.
What is the InChIKey of 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol?
The InChIKey is HIEHPAQLLOEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-9-3-4-10(15-8-9)11-7-12(18-16-11)13(17)5-1-2-6-13/h3-4,7-8,12,16-17H,1-2,5-6H2.
What are the key properties of 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol?
1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol has a molecular weight of 311.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-bromo-2-pyridinyl)-2,5-dihydro-1,2-oxazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 90889085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).