4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole

C14H16FN3O — CID 59854809

IUPAC4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2cccc(N3CCNCC3)c2F)co1
InChIInChI=1S/C14H16FN3O/c1-10-17-12(9-19-10)11-3-2-4-13(14(11)15)18-7-5-16-6-8-18/h2-4,9,16H,5-8H2,1H3
InChIKeyPSKRRXUECCAGJZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.20
Rot. Bonds2

About 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole

4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole (PubChem CID 59854809) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole
PubChem CID59854809
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2cccc(N3CCNCC3)c2F)co1
InChIInChI=1S/C14H16FN3O/c1-10-17-12(9-19-10)11-3-2-4-13(14(11)15)18-7-5-16-6-8-18/h2-4,9,16H,5-8H2,1H3
InChIKeyPSKRRXUECCAGJZ-UHFFFAOYSA-N
XLogP2.20
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-methyl-1,3-oxazol-4-yl)aniline
CID 22493272
N-((4-phenyl-2-propyloxazol-5-yl)methyl)-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-amine
CID 46911114
(R)-1-(2-fluorophenyl)-4-((S)-2-(4-phenyloxazol-2-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487910
N-((4-phenyl-2-propyloxazol-5-yl)methyl)-2-(4-(2-(trifluoromethyl)phenyl)piperazin-1-yl)ethanamine
CID 49798179
N-((4-phenyl-2-propyloxazol-5-yl)methyl)-2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanamine
CID 49798180
N-((4-phenyl-2-propyloxazol-5-yl)methyl)-2-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanamine
CID 49798181
2-(4-(2,3-dimethylphenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethanamine
CID 49798202
2-(4-(3,4-dimethylphenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)ethanamine
CID 49798204
3-(4-(3-fluorophenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)propan-1-amine
CID 49798226
3-(4-(4-fluorophenyl)piperazin-1-yl)-N-((4-phenyl-2-propyloxazol-5-yl)methyl)propan-1-amine
CID 49798227
N-((4-phenyl-2-propyloxazol-5-yl)methyl)-3-(4-o-tolylpiperazin-1-yl)propan-1-amine
CID 49798253
N-((4-phenyl-2-propyloxazol-5-yl)methyl)-3-(4-m-tolylpiperazin-1-yl)propan-1-amine
CID 49798275

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole (CID 59854809) is 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2cccc(N3CCNCC3)c2F)co1.
What is the InChIKey of 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
The InChIKey is PSKRRXUECCAGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-17-12(9-19-10)11-3-2-4-13(14(11)15)18-7-5-16-6-8-18/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole has a molecular weight of 261.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 59854809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).