2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide

C20H28N2O4 — CID 121315719

IUPAC2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)N(CC)CCc1nc(C(C)(C)O)c(C)o1
InChIInChI=1S/C20H28N2O4/c1-6-22(19(23)15-10-8-9-11-16(15)25-7-2)13-12-17-21-18(14(3)26-17)20(4,5)24/h8-11,24H,6-7,12-13H2,1-5H3
InChIKeyGMWVATSEFZBVOD-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.31
Rot. Bonds8

About 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide

2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide (PubChem CID 121315719) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide
PubChem CID121315719
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)N(CC)CCc1nc(C(C)(C)O)c(C)o1
InChIInChI=1S/C20H28N2O4/c1-6-22(19(23)15-10-8-9-11-16(15)25-7-2)13-12-17-21-18(14(3)26-17)20(4,5)24/h8-11,24H,6-7,12-13H2,1-5H3
InChIKeyGMWVATSEFZBVOD-UHFFFAOYSA-N
XLogP3.31
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide (CID 121315719) is 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide is CCOc1ccccc1C(=O)N(CC)CCc1nc(C(C)(C)O)c(C)o1.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide?
The InChIKey is GMWVATSEFZBVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-6-22(19(23)15-10-8-9-11-16(15)25-7-2)13-12-17-21-18(14(3)26-17)20(4,5)24/h8-11,24H,6-7,12-13H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide?
2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide has a molecular weight of 360.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 121315719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).