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

C24H27N3O2 — CID 3242450

IUPAC(4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
InChIInChI=1S/C24H27N3O2/c1-18(2)22-17-21(25-29-22)24(28)27-15-13-26(14-16-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,23H,13-16H2,1-2H3
InChIKeyCEIKFHYVNNFDLI-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.35
Rot. Bonds5

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

(4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 3242450) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID3242450
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
InChIInChI=1S/C24H27N3O2/c1-18(2)22-17-21(25-29-22)24(28)27-15-13-26(14-16-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,23H,13-16H2,1-2H3
InChIKeyCEIKFHYVNNFDLI-UHFFFAOYSA-N
XLogP4.35
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.35
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-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 3242450) is (4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is CEIKFHYVNNFDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18(2)22-17-21(25-29-22)24(28)27-15-13-26(14-16-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,23H,13-16H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 389.50 g/mol, XLogP of 4.35, 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-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 3242450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).