[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

C24H27N3O4 — CID 100508247

IUPAC[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)CC1
InChIInChI=1S/C24H27N3O4/c1-4-26-11-13-27(14-12-26)24(28)19-8-6-5-7-18(19)23-25-16-22(31-23)20-10-9-17(29-2)15-21(20)30-3/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyPBQQRHZDDDUFOO-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.80
Rot. Bonds6

About [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 100508247) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID100508247
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)CC1
InChIInChI=1S/C24H27N3O4/c1-4-26-11-13-27(14-12-26)24(28)19-8-6-5-7-18(19)23-25-16-22(31-23)20-10-9-17(29-2)15-21(20)30-3/h5-10,15-16H,4,11-14H2,1-3H3
InChIKeyPBQQRHZDDDUFOO-UHFFFAOYSA-N
XLogP3.80
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100506960
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
N-benzhydryl-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508470
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 100508304
N-(3,4-dimethoxyphenyl)-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100507661
3,4-dihydro-1H-isoquinolin-2-yl-[2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100503279
ethyl 4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazine-1-carboxylate
CID 36759625
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759083
(4-benzhydrylpiperazin-1-yl)-[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100505048
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 133150106
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 100508247) is [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)CC1.
What is the InChIKey of [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is PBQQRHZDDDUFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-26-11-13-27(14-12-26)24(28)19-8-6-5-7-18(19)23-25-16-22(31-23)20-10-9-17(29-2)15-21(20)30-3/h5-10,15-16H,4,11-14H2,1-3H3.
What are the key properties of [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 421.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 100508247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).