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

C24H27N3O2 — CID 5307213

IUPAC(4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
InChIInChI=1S/C24H27N3O2/c1-2-9-21-18-22(25-29-21)24(28)27-16-14-26(15-17-27)23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,23H,2,9,14-17H2,1H3
InChIKeyHCGKIEHMBIYEGE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.17
Rot. Bonds6

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

(4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 5307213) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID5307213
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
InChIInChI=1S/C24H27N3O2/c1-2-9-21-18-22(25-29-21)24(28)27-16-14-26(15-17-27)23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,23H,2,9,14-17H2,1H3
InChIKeyHCGKIEHMBIYEGE-UHFFFAOYSA-N
XLogP4.17
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.17
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-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone (CID 5307213) is (4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is HCGKIEHMBIYEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-9-21-18-22(25-29-21)24(28)27-16-14-26(15-17-27)23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,23H,2,9,14-17H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 389.50 g/mol, XLogP of 4.17, 6 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-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 5307213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).