1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione

C18H19F2N3O3 — CID 137468063

IUPAC1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione
SMILESCc1nc(C(=O)CCC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)co1
InChIInChI=1S/C18H19F2N3O3/c1-12-21-16(11-26-12)17(24)2-3-18(25)23-6-4-22(5-7-23)15-9-13(19)8-14(20)10-15/h8-11H,2-7H2,1H3
InChIKeyWFHCSLFYTWOLRR-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione

1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione (PubChem CID 137468063) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione
PubChem CID137468063
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione
SMILESCc1nc(C(=O)CCC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)co1
InChIInChI=1S/C18H19F2N3O3/c1-12-21-16(11-26-12)17(24)2-3-18(25)23-6-4-22(5-7-23)15-9-13(19)8-14(20)10-15/h8-11H,2-7H2,1H3
InChIKeyWFHCSLFYTWOLRR-UHFFFAOYSA-N
XLogP2.57
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
5-[3-[4-(3,5-difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2,5-dimethyl-1,3-oxazol-4-yl)imidazolidine-2,4-dione
CID 137468299
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-oxazol-4-yl)propan-1-one
CID 110679231
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 55590815
1-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 87042241
1-(2-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 110413769
1-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-4-(2-methyl-1H-imidazol-5-yl)butane-1,4-dione
CID 121448799
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
1-(aziridin-1-yl)-4-(4-fluoro-3-methylphenyl)butane-1,4-dione
CID 82116552

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione?
The IUPAC name of 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione (CID 137468063) is 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione is Cc1nc(C(=O)CCC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)co1.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione?
The InChIKey is WFHCSLFYTWOLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-12-21-16(11-26-12)17(24)2-3-18(25)23-6-4-22(5-7-23)15-9-13(19)8-14(20)10-15/h8-11H,2-7H2,1H3.
What are the key properties of 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione?
1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione has a molecular weight of 363.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)piperazin-1-yl]-4-(2-methyl-1,3-oxazol-4-yl)butane-1,4-dione is sourced from PubChem (CID 137468063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).