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

C24H28N4O3 — CID 19444615

IUPAC[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(OCc2c(C(=O)N3CCN(Cc4ccccn4)CC3)noc2C)cc1
InChIInChI=1S/C24H28N4O3/c1-3-19-7-9-21(10-8-19)30-17-22-18(2)31-26-23(22)24(29)28-14-12-27(13-15-28)16-20-6-4-5-11-25-20/h4-11H,3,12-17H2,1-2H3
InChIKeyXONYDFBLRLEIOB-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.48
Rot. Bonds7

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

[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19444615) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID19444615
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCc1ccc(OCc2c(C(=O)N3CCN(Cc4ccccn4)CC3)noc2C)cc1
InChIInChI=1S/C24H28N4O3/c1-3-19-7-9-21(10-8-19)30-17-22-18(2)31-26-23(22)24(29)28-14-12-27(13-15-28)16-20-6-4-5-11-25-20/h4-11H,3,12-17H2,1-2H3
InChIKeyXONYDFBLRLEIOB-UHFFFAOYSA-N
XLogP3.48
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.48
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-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19444616
[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
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447549
[4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 75262120
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488152
[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-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19492644
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19443855
[4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19490270

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 19444615) is [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is CCc1ccc(OCc2c(C(=O)N3CCN(Cc4ccccn4)CC3)noc2C)cc1.
What is the InChIKey of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is XONYDFBLRLEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-19-7-9-21(10-8-19)30-17-22-18(2)31-26-23(22)24(29)28-14-12-27(13-15-28)16-20-6-4-5-11-25-20/h4-11H,3,12-17H2,1-2H3.
What are the key properties of [4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 420.51 g/mol, XLogP of 3.48, 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-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19444615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).