2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine

C16H22N4O — CID 79882571

IUPAC2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(N3CCN(C4CCCC4)CC3)nc12
InChIInChI=1S/C16H22N4O/c17-13-6-3-7-14-15(13)18-16(21-14)20-10-8-19(9-11-20)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11,17H2
InChIKeyZBFABBQXMYPAAF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.47
Rot. Bonds2

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

2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine (PubChem CID 79882571) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
PubChem CID79882571
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(N3CCN(C4CCCC4)CC3)nc12
InChIInChI=1S/C16H22N4O/c17-13-6-3-7-14-15(13)18-16(21-14)20-10-8-19(9-11-20)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11,17H2
InChIKeyZBFABBQXMYPAAF-UHFFFAOYSA-N
XLogP2.47
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.47
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-(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-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893265
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-[4-(thian-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91840493
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-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377261
2-(cyclopentylmethylsulfanylmethyl)-1,3-benzoxazol-4-amine
CID 79999711

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine (CID 79882571) is 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine is Nc1cccc2oc(N3CCN(C4CCCC4)CC3)nc12.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
The InChIKey is ZBFABBQXMYPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-13-6-3-7-14-15(13)18-16(21-14)20-10-8-19(9-11-20)12-4-1-2-5-12/h3,6-7,12H,1-2,4-5,8-11,17H2.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine?
2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79882571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).