4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol

C13H14N2O2 — CID 115037744

IUPAC4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
SMILESOc1ccc(-c2cnoc2C2CCNC2)cc1
InChIInChI=1S/C13H14N2O2/c16-11-3-1-9(2-4-11)12-8-15-17-13(12)10-5-6-14-7-10/h1-4,8,10,14,16H,5-7H2
InChIKeyBAJGBDQMPLYFNL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.12
Rot. Bonds2

About 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol

4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol (PubChem CID 115037744) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol.

Molecular Properties

Compound Name4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
PubChem CID115037744
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
SMILESOc1ccc(-c2cnoc2C2CCNC2)cc1
InChIInChI=1S/C13H14N2O2/c16-11-3-1-9(2-4-11)12-8-15-17-13(12)10-5-6-14-7-10/h1-4,8,10,14,16H,5-7H2
InChIKeyBAJGBDQMPLYFNL-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

4-(5-piperidin-4-yl-1,2-oxazol-4-yl)phenol
CID 115053947
4-(4-methoxyphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003500
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82408859
4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 115036740
4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol
CID 136699736
4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053950
3-methyl-5-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 95857102
4-(2-methoxyphenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115003498

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol?
The IUPAC name of 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol (CID 115037744) is 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol.
What is the SMILES notation for 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol?
The canonical SMILES for 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol is Oc1ccc(-c2cnoc2C2CCNC2)cc1.
What is the InChIKey of 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol?
The InChIKey is BAJGBDQMPLYFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11-3-1-9(2-4-11)12-8-15-17-13(12)10-5-6-14-7-10/h1-4,8,10,14,16H,5-7H2.
What are the key properties of 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol?
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-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 4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol is sourced from PubChem (CID 115037744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).