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

C22H23N3O2 — CID 3244419

IUPAC(4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
InChIInChI=1S/C22H23N3O2/c1-17-16-20(23-27-17)22(26)25-14-12-24(13-15-25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,21H,12-15H2,1H3
InChIKeyXXICIYGJIWZXGP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.53
Rot. Bonds4

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

(4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 3244419) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID3244419
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
InChIInChI=1S/C22H23N3O2/c1-17-16-20(23-27-17)22(26)25-14-12-24(13-15-25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,21H,12-15H2,1H3
InChIKeyXXICIYGJIWZXGP-UHFFFAOYSA-N
XLogP3.53
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.53
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-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 3244419) is (4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is XXICIYGJIWZXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-17-16-20(23-27-17)22(26)25-14-12-24(13-15-25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,21H,12-15H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.53, 4 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-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 3244419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).