2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

C20H28N4O3 — CID 8789433

IUPAC2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C20H28N4O3/c1-6-14-9-7-8-10-15(14)21-17(25)12-24(5)13-18(26)22-19-11-16(23-27-19)20(2,3)4/h7-11H,6,12-13H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyNQOOECXXPGUOFH-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.04
Rot. Bonds7

About 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 8789433) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID8789433
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C(C)(C)C)no1
InChIInChI=1S/C20H28N4O3/c1-6-14-9-7-8-10-15(14)21-17(25)12-24(5)13-18(26)22-19-11-16(23-27-19)20(2,3)4/h7-11H,6,12-13H2,1-5H3,(H,21,25)(H,22,26)
InChIKeyNQOOECXXPGUOFH-UHFFFAOYSA-N
XLogP3.04
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 8789433) is 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C(C)(C)C)no1.
What is the InChIKey of 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is NQOOECXXPGUOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-6-14-9-7-8-10-15(14)21-17(25)12-24(5)13-18(26)22-19-11-16(23-27-19)20(2,3)4/h7-11H,6,12-13H2,1-5H3,(H,21,25)(H,22,26).
What are the key properties of 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8789433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).