2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol

C13H14N2O2 — CID 84693433

IUPAC2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
SMILESOc1ccccc1-c1cnc(C2CCNC2)o1
InChIInChI=1S/C13H14N2O2/c16-11-4-2-1-3-10(11)12-8-15-13(17-12)9-5-6-14-7-9/h1-4,8-9,14,16H,5-7H2
InChIKeyNRCTZZZGPJIWNU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol

2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol (PubChem CID 84693433) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
PubChem CID84693433
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
SMILESOc1ccccc1-c1cnc(C2CCNC2)o1
InChIInChI=1S/C13H14N2O2/c16-11-4-2-1-3-10(11)12-8-15-13(17-12)9-5-6-14-7-9/h1-4,8-9,14,16H,5-7H2
InChIKeyNRCTZZZGPJIWNU-UHFFFAOYSA-N
XLogP2.12
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 84715623
2-(azetidin-3-yl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115037712
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84685995
5-(1-methylcyclopropyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115019177
2-(azetidin-3-yl)-5-piperidin-4-yl-1,3-oxazole
CID 115025282
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde
CID 115084955
5-chloro-4-(2-piperidin-4-yl-1,3-oxazol-5-yl)pyridin-2-amine
CID 171660385
5-(1-methylcyclohexyl)-2-pyrrolidin-3-yl-1,3-oxazole
CID 115040326
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
2-(2-phenyl-1,3-oxazol-5-yl)phenol
CID 11128316
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3-oxazole
CID 115028752
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 84715620

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol?
The IUPAC name of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol (CID 84693433) is 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol.
What is the SMILES notation for 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol?
The canonical SMILES for 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol is Oc1ccccc1-c1cnc(C2CCNC2)o1.
What is the InChIKey of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol?
The InChIKey is NRCTZZZGPJIWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11-4-2-1-3-10(11)12-8-15-13(17-12)9-5-6-14-7-9/h1-4,8-9,14,16H,5-7H2.
What are the key properties of 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol?
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol has a molecular weight of 230.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol is sourced from PubChem (CID 84693433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).