(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

C26H22N4O2 — CID 142505402

IUPAC(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1c(-c2ccc3ccccc3c2)nc2occn12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H22N4O2/c31-25(29-14-12-28(13-15-29)22-8-2-1-3-9-22)24-23(27-26-30(24)16-17-32-26)21-11-10-19-6-4-5-7-20(19)18-21/h1-11,16-18H,12-15H2
InChIKeyRMWUVUSHNJPONW-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.71
Rot. Bonds3

About (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 142505402) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID142505402
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1c(-c2ccc3ccccc3c2)nc2occn12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H22N4O2/c31-25(29-14-12-28(13-15-29)22-8-2-1-3-9-22)24-23(27-26-30(24)16-17-32-26)21-11-10-19-6-4-5-7-20(19)18-21/h1-11,16-18H,12-15H2
InChIKeyRMWUVUSHNJPONW-UHFFFAOYSA-N
XLogP4.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (CID 142505402) is (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1c(-c2ccc3ccccc3c2)nc2occn12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is RMWUVUSHNJPONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(29-14-12-28(13-15-29)22-8-2-1-3-9-22)24-23(27-26-30(24)16-17-32-26)21-11-10-19-6-4-5-7-20(19)18-21/h1-11,16-18H,12-15H2.
What are the key properties of (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
(6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 422.49 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 142505402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).