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

C24H25N3O2 — CID 5307265

IUPAC(4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(21-17-22(29-25-21)18-11-12-18)27-15-13-26(14-16-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,23H,11-16H2
InChIKeyOWOYVVFMXWXPBW-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.10
Rot. Bonds5

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

(4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 5307265) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID5307265
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(21-17-22(29-25-21)18-11-12-18)27-15-13-26(14-16-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,23H,11-16H2
InChIKeyOWOYVVFMXWXPBW-UHFFFAOYSA-N
XLogP4.10
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 5307265) is (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is OWOYVVFMXWXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(21-17-22(29-25-21)18-11-12-18)27-15-13-26(14-16-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,23H,11-16H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 387.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 5307265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).