2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid

C17H19NO5 — CID 163312191

IUPAC2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid
SMILESCOc1cc(-c2ocnc2CC2CC2)ccc1OC(C)C(=O)O
InChIInChI=1S/C17H19NO5/c1-10(17(19)20)23-14-6-5-12(8-15(14)21-2)16-13(18-9-22-16)7-11-3-4-11/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyPYDZUGDJTVLFBU-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.15
Rot. Bonds7

About 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid

2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid (PubChem CID 163312191) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid
PubChem CID163312191
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid
SMILESCOc1cc(-c2ocnc2CC2CC2)ccc1OC(C)C(=O)O
InChIInChI=1S/C17H19NO5/c1-10(17(19)20)23-14-6-5-12(8-15(14)21-2)16-13(18-9-22-16)7-11-3-4-11/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyPYDZUGDJTVLFBU-UHFFFAOYSA-N
XLogP3.15
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid?
The IUPAC name of 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid (CID 163312191) is 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid?
The canonical SMILES for 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid is COc1cc(-c2ocnc2CC2CC2)ccc1OC(C)C(=O)O.
What is the InChIKey of 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid?
The InChIKey is PYDZUGDJTVLFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10(17(19)20)23-14-6-5-12(8-15(14)21-2)16-13(18-9-22-16)7-11-3-4-11/h5-6,8-11H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid?
2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid has a molecular weight of 317.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]-2-methoxyphenoxy]propanoic acid is sourced from PubChem (CID 163312191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).