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

C24H30N4O2 — CID 5275504

IUPACN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)CC1
InChIInChI=1S/C24H30N4O2/c1-24(2,3)18-7-5-17(6-8-18)23-26-20-15-19(9-10-21(20)30-23)25-22(29)16-28-13-11-27(4)12-14-28/h5-10,15H,11-14,16H2,1-4H3,(H,25,29)
InChIKeyPGNKWSPNHZHKMY-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.98
Rot. Bonds4

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

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 5275504) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID5275504
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)CC1
InChIInChI=1S/C24H30N4O2/c1-24(2,3)18-7-5-17(6-8-18)23-26-20-15-19(9-10-21(20)30-23)25-22(29)16-28-13-11-27(4)12-14-28/h5-10,15H,11-14,16H2,1-4H3,(H,25,29)
InChIKeyPGNKWSPNHZHKMY-UHFFFAOYSA-N
XLogP3.98
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 5275504) is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(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-methylpiperazin-1-yl)acetamide?
The InChIKey is PGNKWSPNHZHKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-24(2,3)18-7-5-17(6-8-18)23-26-20-15-19(9-10-21(20)30-23)25-22(29)16-28-13-11-27(4)12-14-28/h5-10,15H,11-14,16H2,1-4H3,(H,25,29).
What are the key properties of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.98, 4 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-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5275504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).