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

C14H17NO3 — CID 82371295

IUPAC[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCCCOc1ccc(-c2noc(C)c2CO)cc1
InChIInChI=1S/C14H17NO3/c1-3-8-17-12-6-4-11(5-7-12)14-13(9-16)10(2)18-15-14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyATVKNAWDVXDEBX-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.93
Rot. Bonds5

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

[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol (PubChem CID 82371295) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
PubChem CID82371295
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
SMILESCCCOc1ccc(-c2noc(C)c2CO)cc1
InChIInChI=1S/C14H17NO3/c1-3-8-17-12-6-4-11(5-7-12)14-13(9-16)10(2)18-15-14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyATVKNAWDVXDEBX-UHFFFAOYSA-N
XLogP2.93
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 22221056
[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850926
5-methyl-3-phenyl-N-(4-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2198505
[4-methyl-5-(4-octoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 54846736
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54851106
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87016607

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol (CID 82371295) is [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol is CCCOc1ccc(-c2noc(C)c2CO)cc1.
What is the InChIKey of [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol?
The InChIKey is ATVKNAWDVXDEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-8-17-12-6-4-11(5-7-12)14-13(9-16)10(2)18-15-14/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol?
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol has a molecular weight of 247.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 82371295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).