2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine

C15H22N4O — CID 79893228

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
SMILESCC(C)CN1CCN(c2nc3ccc(N)cc3o2)CC1
InChIInChI=1S/C15H22N4O/c1-11(2)10-18-5-7-19(8-6-18)15-17-13-4-3-12(16)9-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyXEBLBHVFPRGTFD-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine

2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine (PubChem CID 79893228) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
PubChem CID79893228
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
SMILESCC(C)CN1CCN(c2nc3ccc(N)cc3o2)CC1
InChIInChI=1S/C15H22N4O/c1-11(2)10-18-5-7-19(8-6-18)15-17-13-4-3-12(16)9-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyXEBLBHVFPRGTFD-UHFFFAOYSA-N
XLogP2.19
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
[1-(6-amino-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 79890926
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410
2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
CID 79893232
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-5-amine
CID 155516154
2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
CID 62776997
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
3-iodo-4-[4-(2-methylpropyl)piperazin-1-yl]aniline
CID 66095825
6-fluoro-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
CID 175649082
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine
CID 79882824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine (CID 79893228) is 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine is CC(C)CN1CCN(c2nc3ccc(N)cc3o2)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine?
The InChIKey is XEBLBHVFPRGTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)10-18-5-7-19(8-6-18)15-17-13-4-3-12(16)9-14(13)20-15/h3-4,9,11H,5-8,10,16H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine?
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine has a molecular weight of 274.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79893228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).