(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C26H24N4O2 — CID 50760121

IUPAC(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O2/c31-26(23-18-24(32-28-23)22-12-7-13-27-19-22)30-16-14-29(15-17-30)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,25H,14-17H2
InChIKeyHYXQTNIWNAOGBZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.28
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 50760121) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
PubChem CID50760121
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H24N4O2/c31-26(23-18-24(32-28-23)22-12-7-13-27-19-22)30-16-14-29(15-17-30)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,25H,14-17H2
InChIKeyHYXQTNIWNAOGBZ-UHFFFAOYSA-N
XLogP4.28
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 50760121) is (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccnc2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is HYXQTNIWNAOGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(23-18-24(32-28-23)22-12-7-13-27-19-22)30-16-14-29(15-17-30)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18-19,25H,14-17H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 424.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 50760121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).