[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol

C19H19NO4 — CID 54846772

IUPAC[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol
SMILESCc1c(CO)noc1-c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-14-18(13-21)20-24-19(14)15-7-9-17(10-8-15)23-12-11-22-16-5-3-2-4-6-16/h2-10,21H,11-13H2,1H3
InChIKeyQTNBJRUCSPJINL-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.60
Rot. Bonds7

About [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol

[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol (PubChem CID 54846772) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol
PubChem CID54846772
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol
SMILESCc1c(CO)noc1-c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H19NO4/c1-14-18(13-21)20-24-19(14)15-7-9-17(10-8-15)23-12-11-22-16-5-3-2-4-6-16/h2-10,21H,11-13H2,1H3
InChIKeyQTNBJRUCSPJINL-UHFFFAOYSA-N
XLogP3.60
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 54846736
[5-(4-methoxyphenyl)-4-methyl-1,2-oxazol-3-yl]methanol
CID 54846669
N-methyl-1-[4-methyl-5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846862
[5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2-oxazol-4-yl]methanamine
CID 98017234
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
3-methylsulfanyl-5-[4-(3-phenoxypropoxy)phenyl]-1,2-oxazole-4-carbonitrile
CID 6483412
5-methyl-3-(2-phenoxyethoxymethyl)-1,2-oxazole
CID 155013204
1-[3-(bromomethyl)-5-(4-phenylmethoxyphenyl)-1,2-oxazol-4-yl]ethanone
CID 67079311
[5-(2-methylphenyl)-3-(4-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867824
[5-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methanol
CID 79145618
N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846758
formic acid;2-phenoxyethanol
CID 71438669

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol (CID 54846772) is [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol is Cc1c(CO)noc1-c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is QTNBJRUCSPJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14-18(13-21)20-24-19(14)15-7-9-17(10-8-15)23-12-11-22-16-5-3-2-4-6-16/h2-10,21H,11-13H2,1H3.
What are the key properties of [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol?
[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 325.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 54846772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).