4-[3-(1,3-oxazol-5-yl)propyl]phenol

C12H13NO2 — CID 67940828

IUPAC4-[3-(1,3-oxazol-5-yl)propyl]phenol
SMILESOc1ccc(CCCc2cnco2)cc1
InChIInChI=1S/C12H13NO2/c14-11-6-4-10(5-7-11)2-1-3-12-8-13-9-15-12/h4-9,14H,1-3H2
InChIKeyDPAWUMJLMZTMTM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.56
Rot. Bonds4

About 4-[3-(1,3-oxazol-5-yl)propyl]phenol

4-[3-(1,3-oxazol-5-yl)propyl]phenol (PubChem CID 67940828) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[3-(1,3-oxazol-5-yl)propyl]phenol.

Molecular Properties

Compound Name4-[3-(1,3-oxazol-5-yl)propyl]phenol
PubChem CID67940828
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-[3-(1,3-oxazol-5-yl)propyl]phenol
SMILESOc1ccc(CCCc2cnco2)cc1
InChIInChI=1S/C12H13NO2/c14-11-6-4-10(5-7-11)2-1-3-12-8-13-9-15-12/h4-9,14H,1-3H2
InChIKeyDPAWUMJLMZTMTM-UHFFFAOYSA-N
XLogP2.56
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-1,3-oxazole
CID 18000835
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(3-fluoropropyl)phenol
CID 68765958
4-(3-aminopropyl)phenol
CID 4574248
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-[3-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-dimethylsilyl]propyl]phenol
CID 54288715
4-butylphenol;tungsten
CID 174758928
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
4-(12-hydroxydodecyl)phenol
CID 139809285
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
4-(phosphanylmethyl)phenol
CID 58879736

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-oxazol-5-yl)propyl]phenol?
The IUPAC name of 4-[3-(1,3-oxazol-5-yl)propyl]phenol (CID 67940828) is 4-[3-(1,3-oxazol-5-yl)propyl]phenol.
What is the SMILES notation for 4-[3-(1,3-oxazol-5-yl)propyl]phenol?
The canonical SMILES for 4-[3-(1,3-oxazol-5-yl)propyl]phenol is Oc1ccc(CCCc2cnco2)cc1.
What is the InChIKey of 4-[3-(1,3-oxazol-5-yl)propyl]phenol?
The InChIKey is DPAWUMJLMZTMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-6-4-10(5-7-11)2-1-3-12-8-13-9-15-12/h4-9,14H,1-3H2.
What are the key properties of 4-[3-(1,3-oxazol-5-yl)propyl]phenol?
4-[3-(1,3-oxazol-5-yl)propyl]phenol has a molecular weight of 203.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-oxazol-5-yl)propyl]phenol is sourced from PubChem (CID 67940828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).