1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one

C23H24FN3O2 — CID 110407680

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
SMILESCc1oc(-c2ccccc2)nc1CCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H24FN3O2/c1-17-20(25-23(29-17)18-7-3-2-4-8-18)11-12-22(28)27-15-13-26(14-16-27)21-10-6-5-9-19(21)24/h2-10H,11-16H2,1H3
InChIKeyKHJWFRXTRQGKNI-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.07
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one (PubChem CID 110407680) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
PubChem CID110407680
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
SMILESCc1oc(-c2ccccc2)nc1CCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H24FN3O2/c1-17-20(25-23(29-17)18-7-3-2-4-8-18)11-12-22(28)27-15-13-26(14-16-27)21-10-6-5-9-19(21)24/h2-10H,11-16H2,1H3
InChIKeyKHJWFRXTRQGKNI-UHFFFAOYSA-N
XLogP4.07
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110647873
1-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648997
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333844
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 110650823
N-(2,6-difluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110651429
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 38765548
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 84561418
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 16962846

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one (CID 110407680) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one is Cc1oc(-c2ccccc2)nc1CCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
The InChIKey is KHJWFRXTRQGKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-17-20(25-23(29-17)18-7-3-2-4-8-18)11-12-22(28)27-15-13-26(14-16-27)21-10-6-5-9-19(21)24/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one has a molecular weight of 393.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 110407680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).