5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide

C26H32N2O7 — CID 23147066

IUPAC5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCCO
InChIInChI=1S/C26H32N2O7/c1-4-19-20(10-11-21-25(28-15-33-21)26(30)27-12-13-29)24(18-8-6-5-7-9-18)23(35-17-32-3)14-22(19)34-16-31-2/h5-9,14-15,29H,4,10-13,16-17H2,1-3H3,(H,27,30)
InChIKeyYSIPTJKAOXBCLL-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.38
Rot. Bonds14

About 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide

5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 23147066) has the molecular formula C26H32N2O7 and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID23147066
Molecular FormulaC26H32N2O7
Molecular Weight484.55 g/mol
Exact Mass484.22
IUPAC Name5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCCO
InChIInChI=1S/C26H32N2O7/c1-4-19-20(10-11-21-25(28-15-33-21)26(30)27-12-13-29)24(18-8-6-5-7-9-18)23(35-17-32-3)14-22(19)34-16-31-2/h5-9,14-15,29H,4,10-13,16-17H2,1-3H3,(H,27,30)
InChIKeyYSIPTJKAOXBCLL-UHFFFAOYSA-N
XLogP3.38
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide 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 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide (CID 23147066) is 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCc1ocnc1C(=O)NCCO.
What is the InChIKey of 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YSIPTJKAOXBCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O7/c1-4-19-20(10-11-21-25(28-15-33-21)26(30)27-12-13-29)24(18-8-6-5-7-9-18)23(35-17-32-3)14-22(19)34-16-31-2/h5-9,14-15,29H,4,10-13,16-17H2,1-3H3,(H,27,30).
What are the key properties of 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide?
5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.38, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 23147066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).