2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid

C19H24N2O6 — CID 120699130

IUPAC2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(CC)c2c(C)noc2C)ccc1OCC(=O)O
InChIInChI=1S/C19H24N2O6/c1-5-14(18-11(3)21-27-12(18)4)20-19(24)13-7-8-15(26-10-17(22)23)16(9-13)25-6-2/h7-9,14H,5-6,10H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyHCEFQPXTNJQIRT-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.03
Rot. Bonds9

About 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid

2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 120699130) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid
PubChem CID120699130
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(CC)c2c(C)noc2C)ccc1OCC(=O)O
InChIInChI=1S/C19H24N2O6/c1-5-14(18-11(3)21-27-12(18)4)20-19(24)13-7-8-15(26-10-17(22)23)16(9-13)25-6-2/h7-9,14H,5-6,10H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyHCEFQPXTNJQIRT-UHFFFAOYSA-N
XLogP3.03
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid (CID 120699130) is 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)NC(CC)c2c(C)noc2C)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is HCEFQPXTNJQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-5-14(18-11(3)21-27-12(18)4)20-19(24)13-7-8-15(26-10-17(22)23)16(9-13)25-6-2/h7-9,14H,5-6,10H2,1-4H3,(H,20,24)(H,22,23).
What are the key properties of 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 376.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 120699130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).