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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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).