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

C14H16FN3O — CID 20785282

IUPAC4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)c(N3CCNCC3)c2)co1
InChIInChI=1S/C14H16FN3O/c1-10-17-13(9-19-10)11-2-3-12(15)14(8-11)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyIKYLHINVBIOSPP-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.20
Rot. Bonds2

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

4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole (PubChem CID 20785282) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole
PubChem CID20785282
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(-c2ccc(F)c(N3CCNCC3)c2)co1
InChIInChI=1S/C14H16FN3O/c1-10-17-13(9-19-10)11-2-3-12(15)14(8-11)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyIKYLHINVBIOSPP-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole (CID 20785282) is 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole is Cc1nc(-c2ccc(F)c(N3CCNCC3)c2)co1.
What is the InChIKey of 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
The InChIKey is IKYLHINVBIOSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-17-13(9-19-10)11-2-3-12(15)14(8-11)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 4-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole?
4-(4-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-(4-fluoro-3-piperazin-1-ylphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 20785282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).