3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide

C21H22N2O3 — CID 10665557

IUPAC3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C21H22N2O3/c1-15-19(23-21(26-15)17-5-3-2-4-6-17)13-14-25-18-10-7-16(8-11-18)9-12-20(22)24/h2-8,10-11H,9,12-14H2,1H3,(H2,22,24)
InChIKeyHSYJCVSKFIYZKH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.69
Rot. Bonds8

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

3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide (PubChem CID 10665557) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide
PubChem CID10665557
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(N)=O)cc1
InChIInChI=1S/C21H22N2O3/c1-15-19(23-21(26-15)17-5-3-2-4-6-17)13-14-25-18-10-7-16(8-11-18)9-12-20(22)24/h2-8,10-11H,9,12-14H2,1H3,(H2,22,24)
InChIKeyHSYJCVSKFIYZKH-UHFFFAOYSA-N
XLogP3.69
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide?
The IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide (CID 10665557) is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide.
What is the SMILES notation for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide?
The canonical SMILES for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(N)=O)cc1.
What is the InChIKey of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide?
The InChIKey is HSYJCVSKFIYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-19(23-21(26-15)17-5-3-2-4-6-17)13-14-25-18-10-7-16(8-11-18)9-12-20(22)24/h2-8,10-11H,9,12-14H2,1H3,(H2,22,24).
What are the key properties of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide?
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 10665557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).