[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine

C15H20N4O — CID 59588802

IUPAC[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(N3CCN(C4CC4)CC3)nc2c1
InChIInChI=1S/C15H20N4O/c16-10-11-1-4-14-13(9-11)17-15(20-14)19-7-5-18(6-8-19)12-2-3-12/h1,4,9,12H,2-3,5-8,10,16H2
InChIKeyNYIMXMNHLGIGQF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds3

About [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine

[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine (PubChem CID 59588802) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine
PubChem CID59588802
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine
SMILESNCc1ccc2oc(N3CCN(C4CC4)CC3)nc2c1
InChIInChI=1S/C15H20N4O/c16-10-11-1-4-14-13(9-11)17-15(20-14)19-7-5-18(6-8-19)12-2-3-12/h1,4,9,12H,2-3,5-8,10,16H2
InChIKeyNYIMXMNHLGIGQF-UHFFFAOYSA-N
XLogP1.57
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine?
The IUPAC name of [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine (CID 59588802) is [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine?
The canonical SMILES for [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine is NCc1ccc2oc(N3CCN(C4CC4)CC3)nc2c1.
What is the InChIKey of [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine?
The InChIKey is NYIMXMNHLGIGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-10-11-1-4-14-13(9-11)17-15(20-14)19-7-5-18(6-8-19)12-2-3-12/h1,4,9,12H,2-3,5-8,10,16H2.
What are the key properties of [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine?
[2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopropylpiperazin-1-yl)-1,3-benzoxazol-5-yl]methanamine is sourced from PubChem (CID 59588802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).