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

C21H19F2N3O2 — CID 151214922

IUPAC[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2F)c1C(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C21H19F2N3O2/c1-14-19(20(24-28-14)17-7-2-3-8-18(17)23)21(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12H2,1H3
InChIKeyNLBAJTJQOUGUKO-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.89
Rot. Bonds3

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

[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 151214922) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID151214922
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1onc(-c2ccccc2F)c1C(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C21H19F2N3O2/c1-14-19(20(24-28-14)17-7-2-3-8-18(17)23)21(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12H2,1H3
InChIKeyNLBAJTJQOUGUKO-UHFFFAOYSA-N
XLogP3.89
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 66575828
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1005082
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanone
CID 70980862
[4-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 3759803
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 2812652
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937667
[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 66576862
[4-(2-fluorophenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanone
CID 66575832
1-[4-[4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 1247458
[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 70981942
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 17096093

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone (CID 151214922) is [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone is Cc1onc(-c2ccccc2F)c1C(=O)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NLBAJTJQOUGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-14-19(20(24-28-14)17-7-2-3-8-18(17)23)21(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone?
[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 151214922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).