[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C23H27N3O3S — CID 19444616

IUPAC[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(OCc2c(C(=O)N3CCN(Cc4cccs4)CC3)noc2C)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-18-6-8-19(9-7-18)28-16-21-17(2)29-24-22(21)23(27)26-12-10-25(11-13-26)15-20-5-4-14-30-20/h4-9,14H,3,10-13,15-16H2,1-2H3
InChIKeyATRIUNCGYOPORV-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.14
Rot. Bonds7

About [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19444616) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID19444616
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(OCc2c(C(=O)N3CCN(Cc4cccs4)CC3)noc2C)cc1
InChIInChI=1S/C23H27N3O3S/c1-3-18-6-8-19(9-7-18)28-16-21-17(2)29-24-22(21)23(27)26-12-10-25(11-13-26)15-20-5-4-14-30-20/h4-9,14H,3,10-13,15-16H2,1-2H3
InChIKeyATRIUNCGYOPORV-UHFFFAOYSA-N
XLogP4.14
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 19444615
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19444595
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488081
[4-[(4-ethylphenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19471536
[4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19445230
[4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19444372
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488152
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19443855
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19492644
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19492661
[4-[(4-fluorophenoxy)methyl]phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19585133

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 19444616) is [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is CCc1ccc(OCc2c(C(=O)N3CCN(Cc4cccs4)CC3)noc2C)cc1.
What is the InChIKey of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is ATRIUNCGYOPORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-3-18-6-8-19(9-7-18)28-16-21-17(2)29-24-22(21)23(27)26-12-10-25(11-13-26)15-20-5-4-14-30-20/h4-9,14H,3,10-13,15-16H2,1-2H3.
What are the key properties of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 425.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19444616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).