5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole

C19H20FN5O — CID 126893682

IUPAC5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2oc(N3CC(N4CCN(c5ccccn5)CC4)C3)nc2c1
InChIInChI=1S/C19H20FN5O/c20-14-4-5-17-16(11-14)22-19(26-17)25-12-15(13-25)23-7-9-24(10-8-23)18-3-1-2-6-21-18/h1-6,11,15H,7-10,12-13H2
InChIKeyWSNNELOFPXXZBL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.37
Rot. Bonds3

About 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole

5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole (PubChem CID 126893682) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
PubChem CID126893682
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2oc(N3CC(N4CCN(c5ccccn5)CC4)C3)nc2c1
InChIInChI=1S/C19H20FN5O/c20-14-4-5-17-16(11-14)22-19(26-17)25-12-15(13-25)23-7-9-24(10-8-23)18-3-1-2-6-21-18/h1-6,11,15H,7-10,12-13H2
InChIKeyWSNNELOFPXXZBL-UHFFFAOYSA-N
XLogP2.37
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-(3-pyrrolidin-1-ylazepan-1-yl)-1,3-benzoxazole
CID 133314279
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one
CID 133497405
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893632
5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
CID 146044554
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126893689

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole (CID 126893682) is 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole is Fc1ccc2oc(N3CC(N4CCN(c5ccccn5)CC4)C3)nc2c1.
What is the InChIKey of 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
The InChIKey is WSNNELOFPXXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-14-4-5-17-16(11-14)22-19(26-17)25-12-15(13-25)23-7-9-24(10-8-23)18-3-1-2-6-21-18/h1-6,11,15H,7-10,12-13H2.
What are the key properties of 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole has a molecular weight of 353.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 126893682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).