5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole

C14H17NO3 — CID 13268419

IUPAC5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(C)C)o2)cc1OC
InChIInChI=1S/C14H17NO3/c1-9(2)14-15-8-13(18-14)10-5-6-11(16-3)12(7-10)17-4/h5-9H,1-4H3
InChIKeyXIZHQQAQGRCUTG-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.48
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole

5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 13268419) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
PubChem CID13268419
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
SMILESCOc1ccc(-c2cnc(C(C)C)o2)cc1OC
InChIInChI=1S/C14H17NO3/c1-9(2)14-15-8-13(18-14)10-5-6-11(16-3)12(7-10)17-4/h5-9H,1-4H3
InChIKeyXIZHQQAQGRCUTG-UHFFFAOYSA-N
XLogP3.48
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)-1,3-oxazol-5-yl]benzene-1,2-diol
CID 70799802
5-(3,4-dimethoxyphenyl)-2-[2-(4-methylphenyl)ethynyl]-1,3-oxazole
CID 101495209
5-(4-methoxy-3-propan-2-ylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049724
N-ethyl-1-[5-(4-methoxy-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181398
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
CID 82285421
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
2-(1-chloroethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole
CID 65179410
5-(3-bromo-4-methoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 65179454
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole (CID 13268419) is 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole is COc1ccc(-c2cnc(C(C)C)o2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is XIZHQQAQGRCUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)14-15-8-13(18-14)10-5-6-11(16-3)12(7-10)17-4/h5-9H,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole?
5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 247.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 13268419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).