3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one

C20H25N3O4 — CID 136517567

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one
SMILESCc1noc(C)c1C(C)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C20H25N3O4/c1-13(19-14(2)21-27-15(19)3)12-18(25)22-8-10-23(11-9-22)20(26)16-4-6-17(24)7-5-16/h4-7,13,24H,8-12H2,1-3H3
InChIKeyUCTQTNDAKUJRSK-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.48
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 136517567) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one
PubChem CID136517567
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one
SMILESCc1noc(C)c1C(C)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C20H25N3O4/c1-13(19-14(2)21-27-15(19)3)12-18(25)22-8-10-23(11-9-22)20(26)16-4-6-17(24)7-5-16/h4-7,13,24H,8-12H2,1-3H3
InChIKeyUCTQTNDAKUJRSK-UHFFFAOYSA-N
XLogP2.48
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one (CID 136517567) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one is Cc1noc(C)c1C(C)CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is UCTQTNDAKUJRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(19-14(2)21-27-15(19)3)12-18(25)22-8-10-23(11-9-22)20(26)16-4-6-17(24)7-5-16/h4-7,13,24H,8-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 371.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 136517567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).