N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H17N3O4 — CID 56530025

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1ccc(-c2cc(NC(=O)Cn3c(=O)oc4ccccc43)on2)cc1
InChIInChI=1S/C20H17N3O4/c1-2-13-7-9-14(10-8-13)15-11-19(27-22-15)21-18(24)12-23-16-5-3-4-6-17(16)26-20(23)25/h3-11H,2,12H2,1H3,(H,21,24)
InChIKeyGTPSGZWFDZYGGA-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.45
Rot. Bonds5

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 56530025) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID56530025
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1ccc(-c2cc(NC(=O)Cn3c(=O)oc4ccccc43)on2)cc1
InChIInChI=1S/C20H17N3O4/c1-2-13-7-9-14(10-8-13)15-11-19(27-22-15)21-18(24)12-23-16-5-3-4-6-17(16)26-20(23)25/h3-11H,2,12H2,1H3,(H,21,24)
InChIKeyGTPSGZWFDZYGGA-UHFFFAOYSA-N
XLogP3.45
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 56530025) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCc1ccc(-c2cc(NC(=O)Cn3c(=O)oc4ccccc43)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is GTPSGZWFDZYGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-2-13-7-9-14(10-8-13)15-11-19(27-22-15)21-18(24)12-23-16-5-3-4-6-17(16)26-20(23)25/h3-11H,2,12H2,1H3,(H,21,24).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 363.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 56530025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).