6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C15H22N4O2 — CID 115425554

IUPAC6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(C)CN1CCN(c2cc3[nH]c(=O)oc3cc2N)CC1
InChIInChI=1S/C15H22N4O2/c1-10(2)9-18-3-5-19(6-4-18)13-8-12-14(7-11(13)16)21-15(20)17-12/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,20)
InChIKeyOYGWNSNARJIHRS-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.48
Rot. Bonds3

About 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 115425554) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID115425554
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESCC(C)CN1CCN(c2cc3[nH]c(=O)oc3cc2N)CC1
InChIInChI=1S/C15H22N4O2/c1-10(2)9-18-3-5-19(6-4-18)13-8-12-14(7-11(13)16)21-15(20)17-12/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,20)
InChIKeyOYGWNSNARJIHRS-UHFFFAOYSA-N
XLogP1.48
TPSA78.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 115425554) is 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is CC(C)CN1CCN(c2cc3[nH]c(=O)oc3cc2N)CC1.
What is the InChIKey of 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is OYGWNSNARJIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)9-18-3-5-19(6-4-18)13-8-12-14(7-11(13)16)21-15(20)17-12/h7-8,10H,3-6,9,16H2,1-2H3,(H,17,20).
What are the key properties of 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[4-(2-methylpropyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).