2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine

C15H22N4O — CID 79893265

IUPAC2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
SMILESCC(C)(C)N1CCN(c2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C15H22N4O/c1-15(2,3)19-9-7-18(8-10-19)14-17-13-11(16)5-4-6-12(13)20-14/h4-6H,7-10,16H2,1-3H3
InChIKeyIJSCMKVYNKWQLQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.33
Rot. Bonds1

About 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine

2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine (PubChem CID 79893265) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
PubChem CID79893265
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
SMILESCC(C)(C)N1CCN(c2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C15H22N4O/c1-15(2,3)19-9-7-18(8-10-19)14-17-13-11(16)5-4-6-12(13)20-14/h4-6H,7-10,16H2,1-3H3
InChIKeyIJSCMKVYNKWQLQ-UHFFFAOYSA-N
XLogP2.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-piperidin-1-yl-1,3-benzoxazol-4-amine
CID 79890379
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79890107
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79882571
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
CID 79882327
2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893453
4-(4-amino-1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102888293
4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79890454
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-4-amine
CID 79892960
2-(4-tert-butylpiperazin-1-yl)aniline
CID 28800635
2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzoxazole-2,4-diamine
CID 79892931
2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine
CID 114592002

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine (CID 79893265) is 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine is CC(C)(C)N1CCN(c2nc3c(N)cccc3o2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The InChIKey is IJSCMKVYNKWQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)19-9-7-18(8-10-19)14-17-13-11(16)5-4-6-12(13)20-14/h4-6H,7-10,16H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine has a molecular weight of 274.37 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79893265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).