2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone

C22H27FN4O4 — CID 86896371

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C22H27FN4O4/c1-15-18(16(2)31-24-15)14-21(28)26-5-7-27(8-6-26)22(29)17-3-4-20(19(23)13-17)25-9-11-30-12-10-25/h3-4,13H,5-12,14H2,1-2H3
InChIKeyWTQOJSAAXHDYDO-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.79
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 86896371) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID86896371
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C22H27FN4O4/c1-15-18(16(2)31-24-15)14-21(28)26-5-7-27(8-6-26)22(29)17-3-4-20(19(23)13-17)25-9-11-30-12-10-25/h3-4,13H,5-12,14H2,1-2H3
InChIKeyWTQOJSAAXHDYDO-UHFFFAOYSA-N
XLogP1.79
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone (CID 86896371) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is WTQOJSAAXHDYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-15-18(16(2)31-24-15)14-21(28)26-5-7-27(8-6-26)22(29)17-3-4-20(19(23)13-17)25-9-11-30-12-10-25/h3-4,13H,5-12,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 430.48 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86896371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).