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

C13H16N2O2 — CID 84695684

IUPAC3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
SMILESOc1cccc(C2CN=C(C3CCNC3)O2)c1
InChIInChI=1S/C13H16N2O2/c16-11-3-1-2-9(6-11)12-8-15-13(17-12)10-4-5-14-7-10/h1-3,6,10,12,14,16H,4-5,7-8H2
InChIKeyQDETTWBCWMRHOS-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.47
Rot. Bonds2

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

3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol (PubChem CID 84695684) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol.

Molecular Properties

Compound Name3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
PubChem CID84695684
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
SMILESOc1cccc(C2CN=C(C3CCNC3)O2)c1
InChIInChI=1S/C13H16N2O2/c16-11-3-1-2-9(6-11)12-8-15-13(17-12)10-4-5-14-7-10/h1-3,6,10,12,14,16H,4-5,7-8H2
InChIKeyQDETTWBCWMRHOS-UHFFFAOYSA-N
XLogP1.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol
CID 84695685
5-(3-methylphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061345
3-pyrrolidin-3-ylphenol
CID 12937992
5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061491
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
5-(3-methoxyphenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061350
5-(4-fluorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061504
5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061354
5-(4-methoxyphenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061508
3-(3,3-difluoropiperidin-4-yl)phenol
CID 105426893
3-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610660
1-[(3R,4S)-3-(3-hydroxyphenyl)piperidin-4-yl]ethanone
CID 58977830

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol?
The IUPAC name of 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol (CID 84695684) is 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol.
What is the SMILES notation for 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol?
The canonical SMILES for 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol is Oc1cccc(C2CN=C(C3CCNC3)O2)c1.
What is the InChIKey of 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol?
The InChIKey is QDETTWBCWMRHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-11-3-1-2-9(6-11)12-8-15-13(17-12)10-4-5-14-7-10/h1-3,6,10,12,14,16H,4-5,7-8H2.
What are the key properties of 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol?
3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol has a molecular weight of 232.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazol-5-yl)phenol is sourced from PubChem (CID 84695684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).