N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide

C25H32N4O2 — CID 162661347

IUPACN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)CC1
InChIInChI=1S/C25H32N4O2/c1-5-28-12-14-29(15-13-28)17-23(30)26-20-10-11-22-21(16-20)27-24(31-22)18-6-8-19(9-7-18)25(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3,(H,26,30)
InChIKeyRILGGQFKXKOFCX-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.37
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 162661347) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID162661347
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)CC1
InChIInChI=1S/C25H32N4O2/c1-5-28-12-14-29(15-13-28)17-23(30)26-20-10-11-22-21(16-20)27-24(31-22)18-6-8-19(9-7-18)25(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3,(H,26,30)
InChIKeyRILGGQFKXKOFCX-UHFFFAOYSA-N
XLogP4.37
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
2-(1-Naphthyl)-1,3-benzoxazol-5-amine
CID 650480
2-(4-Ethylphenyl)-1,3-benzoxazol-5-amine
CID 721074
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454420
{4-[4-(1,3-Benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
CID 117631954
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-iodo-5-nitrobenzamide
CID 168296813
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 162661347) is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)CC1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is RILGGQFKXKOFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-28-12-14-29(15-13-28)17-23(30)26-20-10-11-22-21(16-20)27-24(31-22)18-6-8-19(9-7-18)25(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3,(H,26,30).
What are the key properties of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 420.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 162661347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).