2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole

C27H27FN4O — CID 162070377

IUPAC2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole
SMILESCc1cccc(Cc2ccc(N3CCN(C(c4ccccc4)c4ncco4)CC3)c(F)c2)n1
InChIInChI=1S/C27H27FN4O/c1-20-6-5-9-23(30-20)18-21-10-11-25(24(28)19-21)31-13-15-32(16-14-31)26(27-29-12-17-33-27)22-7-3-2-4-8-22/h2-12,17,19,26H,13-16,18H2,1H3
InChIKeyZAZPQJPRDSACPE-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.02
Rot. Bonds6

About 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole

2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole (PubChem CID 162070377) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole
PubChem CID162070377
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole
SMILESCc1cccc(Cc2ccc(N3CCN(C(c4ccccc4)c4ncco4)CC3)c(F)c2)n1
InChIInChI=1S/C27H27FN4O/c1-20-6-5-9-23(30-20)18-21-10-11-25(24(28)19-21)31-13-15-32(16-14-31)26(27-29-12-17-33-27)22-7-3-2-4-8-22/h2-12,17,19,26H,13-16,18H2,1H3
InChIKeyZAZPQJPRDSACPE-UHFFFAOYSA-N
XLogP5.02
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole?
The IUPAC name of 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole (CID 162070377) is 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole?
The canonical SMILES for 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole is Cc1cccc(Cc2ccc(N3CCN(C(c4ccccc4)c4ncco4)CC3)c(F)c2)n1.
What is the InChIKey of 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole?
The InChIKey is ZAZPQJPRDSACPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c1-20-6-5-9-23(30-20)18-21-10-11-25(24(28)19-21)31-13-15-32(16-14-31)26(27-29-12-17-33-27)22-7-3-2-4-8-22/h2-12,17,19,26H,13-16,18H2,1H3.
What are the key properties of 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole?
2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole has a molecular weight of 442.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-fluoro-4-[(6-methyl-2-pyridinyl)methyl]phenyl]piperazin-1-yl]-phenylmethyl]-1,3-oxazole is sourced from PubChem (CID 162070377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).