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

C10H11NO3 — CID 137216130

IUPAC2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol
SMILESCOC1CC(c2ccccc2O)=NO1
InChIInChI=1S/C10H11NO3/c1-13-10-6-8(11-14-10)7-4-2-3-5-9(7)12/h2-5,10,12H,6H2,1H3
InChIKeyCXPHQUXQNRFIKV-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.49
Rot. Bonds2

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

2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol (PubChem CID 137216130) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol
PubChem CID137216130
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol
SMILESCOC1CC(c2ccccc2O)=NO1
InChIInChI=1S/C10H11NO3/c1-13-10-6-8(11-14-10)7-4-2-3-5-9(7)12/h2-5,10,12H,6H2,1H3
InChIKeyCXPHQUXQNRFIKV-UHFFFAOYSA-N
XLogP1.49
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromonaphthalen-1-yl)-5-methoxy-4,5-dihydro-1,2-oxazole
CID 174491508
[bis[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]amino] acetate
CID 136631971
3-(4-bromophenyl)-5-methoxy-4,5-dihydro-1,2-oxazole
CID 174480257
3-(2-hydroxyphenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158148
(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093706
3-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid
CID 136671941
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
(5R)-N-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829493
(5S)-3-(2-hydroxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135935919
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
2-[5-(4-methoxyphenyl)-5-sulfido-4H-1,2,5-oxazaphosphol-5-ium-3-yl]phenol
CID 136784254

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol?
The IUPAC name of 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol (CID 137216130) is 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol.
What is the SMILES notation for 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol?
The canonical SMILES for 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol is COC1CC(c2ccccc2O)=NO1.
What is the InChIKey of 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol?
The InChIKey is CXPHQUXQNRFIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-10-6-8(11-14-10)7-4-2-3-5-9(7)12/h2-5,10,12H,6H2,1H3.
What are the key properties of 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol?
2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol has a molecular weight of 193.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-4,5-dihydro-1,2-oxazol-3-yl)phenol is sourced from PubChem (CID 137216130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).