2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine

C14H20N4O — CID 79893453

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
SMILESCCC1CN(c2nc3c(N)cccc3o2)CCN1C
InChIInChI=1S/C14H20N4O/c1-3-10-9-18(8-7-17(10)2)14-16-13-11(15)5-4-6-12(13)19-14/h4-6,10H,3,7-9,15H2,1-2H3
InChIKeyJMWKKZPJDNINDA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds2

About 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine

2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine (PubChem CID 79893453) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
PubChem CID79893453
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
SMILESCCC1CN(c2nc3c(N)cccc3o2)CCN1C
InChIInChI=1S/C14H20N4O/c1-3-10-9-18(8-7-17(10)2)14-16-13-11(15)5-4-6-12(13)19-14/h4-6,10H,3,7-9,15H2,1-2H3
InChIKeyJMWKKZPJDNINDA-UHFFFAOYSA-N
XLogP1.94
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.94
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-piperidin-1-yl-1,3-benzoxazol-4-amine
CID 79890379
2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893265
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
CID 79882327
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79890107
2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79882571
2-(3-ethyl-4-methylpiperazin-1-yl)pyridin-3-amine
CID 63610642
2-N-[(1-methylpiperidin-2-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892704
2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 79995284
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 80834207
[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
CID 63605516
2-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892559

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine (CID 79893453) is 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine is CCC1CN(c2nc3c(N)cccc3o2)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The InChIKey is JMWKKZPJDNINDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-10-9-18(8-7-17(10)2)14-16-13-11(15)5-4-6-12(13)19-14/h4-6,10H,3,7-9,15H2,1-2H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79893453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).