(2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C20H23N5O2 — CID 24819575

IUPAC(2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCCCc1nc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2o1
InChIInChI=1S/C20H23N5O2/c1-2-3-4-19-23-16-13-15(5-6-17(16)27-19)20(26)25-11-9-24(10-12-25)18-14-21-7-8-22-18/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyNJXZSZGSDQNIPU-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.92
Rot. Bonds5

About (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 24819575) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID24819575
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCCCc1nc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2o1
InChIInChI=1S/C20H23N5O2/c1-2-3-4-19-23-16-13-15(5-6-17(16)27-19)20(26)25-11-9-24(10-12-25)18-14-21-7-8-22-18/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyNJXZSZGSDQNIPU-UHFFFAOYSA-N
XLogP2.92
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 24819575) is (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CCCCc1nc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2o1.
What is the InChIKey of (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NJXZSZGSDQNIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-3-4-19-23-16-13-15(5-6-17(16)27-19)20(26)25-11-9-24(10-12-25)18-14-21-7-8-22-18/h5-8,13-14H,2-4,9-12H2,1H3.
What are the key properties of (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1,3-benzoxazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24819575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).