N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide

C19H25N3O3 — CID 113064726

IUPACN-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cc(C)on1
InChIInChI=1S/C19H25N3O3/c1-13-12-17(21-25-13)22(14(2)23)11-10-20-18(24)15-6-8-16(9-7-15)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyBOLXWGVDRXCPQK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.06
Rot. Bonds5

About N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide

N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide (PubChem CID 113064726) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide
PubChem CID113064726
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cc(C)on1
InChIInChI=1S/C19H25N3O3/c1-13-12-17(21-25-13)22(14(2)23)11-10-20-18(24)15-6-8-16(9-7-15)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyBOLXWGVDRXCPQK-UHFFFAOYSA-N
XLogP3.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113064816
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113064784
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-acetylphenyl)propanamide
CID 113135794
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
CID 113054239
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-4-tert-butylbenzamide
CID 113063169
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113135778
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide?
The IUPAC name of N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide (CID 113064726) is N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cc(C)on1.
What is the InChIKey of N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide?
The InChIKey is BOLXWGVDRXCPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-12-17(21-25-13)22(14(2)23)11-10-20-18(24)15-6-8-16(9-7-15)19(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,20,24).
What are the key properties of N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide?
N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide has a molecular weight of 343.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]ethyl]-4-tert-butylbenzamide is sourced from PubChem (CID 113064726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).