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

C19H27NO3 — CID 54846736

IUPAC[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol
SMILESCCCCCCCCOc1ccc(-c2onc(CO)c2C)cc1
InChIInChI=1S/C19H27NO3/c1-3-4-5-6-7-8-13-22-17-11-9-16(10-12-17)19-15(2)18(14-21)20-23-19/h9-12,21H,3-8,13-14H2,1-2H3
InChIKeyFIEAGRXZPXKHKY-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.88
Rot. Bonds10

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

[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol (PubChem CID 54846736) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol
PubChem CID54846736
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol
SMILESCCCCCCCCOc1ccc(-c2onc(CO)c2C)cc1
InChIInChI=1S/C19H27NO3/c1-3-4-5-6-7-8-13-22-17-11-9-16(10-12-17)19-15(2)18(14-21)20-23-19/h9-12,21H,3-8,13-14H2,1-2H3
InChIKeyFIEAGRXZPXKHKY-UHFFFAOYSA-N
XLogP4.88
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-5-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazol-3-yl]methanol
CID 54846772
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
5-(4-hexoxyphenyl)-1,2-oxazole
CID 166514076
1-methoxy-4-tetradecoxybenzene
CID 91712423
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol (CID 54846736) is [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol is CCCCCCCCOc1ccc(-c2onc(CO)c2C)cc1.
What is the InChIKey of [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is FIEAGRXZPXKHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-4-5-6-7-8-13-22-17-11-9-16(10-12-17)19-15(2)18(14-21)20-23-19/h9-12,21H,3-8,13-14H2,1-2H3.
What are the key properties of [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol?
[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 317.43 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 54846736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).