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

C13H17NO3 — CID 175669378

IUPAC4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCOc1ccc(O)c(C2=NC(C(C)C)CO2)c1
InChIInChI=1S/C13H17NO3/c1-8(2)11-7-17-13(14-11)10-6-9(16-3)4-5-12(10)15/h4-6,8,11,15H,7H2,1-3H3
InChIKeyHEVBMXSGKNBYDD-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.20
Rot. Bonds3

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

4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 175669378) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID175669378
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCOc1ccc(O)c(C2=NC(C(C)C)CO2)c1
InChIInChI=1S/C13H17NO3/c1-8(2)11-7-17-13(14-11)10-6-9(16-3)4-5-12(10)15/h4-6,8,11,15H,7H2,1-3H3
InChIKeyHEVBMXSGKNBYDD-UHFFFAOYSA-N
XLogP2.20
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline
CID 333189
Nocazoline A
CID 136099212
2-(4',4'-Dimethyl-3',4'-dihydrooxazol-2'-yl)phenol
CID 3074828
2-{(E)-[(2-{[(1E)-(2-hydroxy-5-methoxyphenyl)methylene]amino}-1-methylethyl)imino]methyl}-4-methoxyphenol
CID 4214077
(S)-2-(2-hydroxyphenyl)-4-hydroxymethyl-4,5-dihydrooxazole
CID 136380875
N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine
CID 403716
4-Methoxy-2-(phenylmethoxyiminomethyl)phenol
CID 136276772
ethyl (4R,5R)-2-(2-hydroxy-5-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 162664260
Spoxazomicin C
CID 136065872
2-(4,5-Dihydro-1,3-oxazol-2-yl)phenol
CID 346894
N,N'-bis(5-methoxysalicylidene)-1,2-ethanediamine
CID 482304
2-(2,3-Dimethoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole
CID 11128267

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 175669378) is 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol is COc1ccc(O)c(C2=NC(C(C)C)CO2)c1.
What is the InChIKey of 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is HEVBMXSGKNBYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8(2)11-7-17-13(14-11)10-6-9(16-3)4-5-12(10)15/h4-6,8,11,15H,7H2,1-3H3.
What are the key properties of 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 235.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 175669378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).