N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide

C21H23N3O3 — CID 5275494

IUPACN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-15-3-5-16(6-4-15)21-23-18-13-17(7-8-19(18)27-21)22-20(25)14-24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyCYCMDMJYWOJJGD-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide (PubChem CID 5275494) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
PubChem CID5275494
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-15-3-5-16(6-4-15)21-23-18-13-17(7-8-19(18)27-21)22-20(25)14-24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyCYCMDMJYWOJJGD-UHFFFAOYSA-N
XLogP3.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide (CID 5275494) is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide is CCc1ccc(-c2nc3cc(NC(=O)CN4CCOCC4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
The InChIKey is CYCMDMJYWOJJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-15-3-5-16(6-4-15)21-23-18-13-17(7-8-19(18)27-21)22-20(25)14-24-9-11-26-12-10-24/h3-8,13H,2,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide?
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide has a molecular weight of 365.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5275494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).