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

C14H17FN4O — CID 166604990

IUPAC4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1cccnc1CN1CCN(Cc2cocn2)CC1
InChIInChI=1S/C14H17FN4O/c15-13-2-1-3-16-14(13)9-19-6-4-18(5-7-19)8-12-10-20-11-17-12/h1-3,10-11H,4-9H2
InChIKeyVLHDXAIOOXCQFF-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.53
Rot. Bonds4

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

4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 166604990) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID166604990
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1cccnc1CN1CCN(Cc2cocn2)CC1
InChIInChI=1S/C14H17FN4O/c15-13-2-1-3-16-14(13)9-19-6-4-18(5-7-19)8-12-10-20-11-17-12/h1-3,10-11H,4-9H2
InChIKeyVLHDXAIOOXCQFF-UHFFFAOYSA-N
XLogP1.53
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole (CID 166604990) is 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole is Fc1cccnc1CN1CCN(Cc2cocn2)CC1.
What is the InChIKey of 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is VLHDXAIOOXCQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-13-2-1-3-16-14(13)9-19-6-4-18(5-7-19)8-12-10-20-11-17-12/h1-3,10-11H,4-9H2.
What are the key properties of 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole?
4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 276.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 166604990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).