[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone

C24H27N3O3 — CID 24794246

IUPAC[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccc3)CC2C)no1
InChIInChI=1S/C24H27N3O3/c1-17-8-7-9-18(2)23(17)29-16-21-14-22(25-30-21)24(28)27-13-12-26(15-19(27)3)20-10-5-4-6-11-20/h4-11,14,19H,12-13,15-16H2,1-3H3
InChIKeyRUOZWWJARFKHRT-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.22
Rot. Bonds5

About [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone

[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone (PubChem CID 24794246) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone
PubChem CID24794246
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone
SMILESCc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccc3)CC2C)no1
InChIInChI=1S/C24H27N3O3/c1-17-8-7-9-18(2)23(17)29-16-21-14-22(25-30-21)24(28)27-13-12-26(15-19(27)3)20-10-5-4-6-11-20/h4-11,14,19H,12-13,15-16H2,1-3H3
InChIKeyRUOZWWJARFKHRT-UHFFFAOYSA-N
XLogP4.22
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone (CID 24794246) is [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone is Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccc3)CC2C)no1.
What is the InChIKey of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone?
The InChIKey is RUOZWWJARFKHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-8-7-9-18(2)23(17)29-16-21-14-22(25-30-21)24(28)27-13-12-26(15-19(27)3)20-10-5-4-6-11-20/h4-11,14,19H,12-13,15-16H2,1-3H3.
What are the key properties of [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone?
[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(2-methyl-4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 24794246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).