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

C22H24N3O2+ — CID 7452862

IUPAC(4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)on1
InChIInChI=1S/C22H23N3O2/c1-17-16-20(27-23-17)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/p+1
InChIKeyFTACCLZLUYNBOJ-UHFFFAOYSA-O
MW362.45 g/mol
LogP2.11
Rot. Bonds4

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

(4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 7452862) has the molecular formula C22H24N3O2+ and a molecular weight of 362.45 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID7452862
Molecular FormulaC22H24N3O2+
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name(4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)on1
InChIInChI=1S/C22H23N3O2/c1-17-16-20(27-23-17)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/p+1
InChIKeyFTACCLZLUYNBOJ-UHFFFAOYSA-O
XLogP2.11
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzhydrylpiperazin-4-ium-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 7066709
(4-benzhydrylpiperazin-4-ium-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 7221591
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(4-benzhydrylpiperazin-4-ium-1-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 6979917
(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
CID 138009834
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073604
(4-benzhydrylpiperazin-4-ium-1-yl)-[3-(methoxymethyl)phenyl]methanone
CID 9041223
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone (CID 7452862) is (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)on1.
What is the InChIKey of (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is FTACCLZLUYNBOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23N3O2/c1-17-16-20(27-23-17)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/p+1.
What are the key properties of (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone?
(4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 362.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-4-ium-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 7452862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).