6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

C17H17FN4O2 — CID 66797247

IUPAC6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2nc(N3CCNCC3COc3cccnc3)oc2c1
InChIInChI=1S/C17H17FN4O2/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14/h1-5,8,10,13,20H,6-7,9,11H2
InChIKeyICZRDADPLBRUDW-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.22
Rot. Bonds4

About 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole

6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 66797247) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID66797247
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
SMILESFc1ccc2nc(N3CCNCC3COc3cccnc3)oc2c1
InChIInChI=1S/C17H17FN4O2/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14/h1-5,8,10,13,20H,6-7,9,11H2
InChIKeyICZRDADPLBRUDW-UHFFFAOYSA-N
XLogP2.22
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66796479
6-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole;hydrochloride
CID 66797481
2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 66797360
5-chloro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole
CID 59671539
6,7-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66796615
6,7-difluoro-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66796614
N-benzyl-4-methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-oxazole-5-carboxamide
CID 59671532
6-bromo-4-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797338
5-methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole
CID 66797139
2-(2-ethylpiperazin-1-yl)-1,3-benzoxazole
CID 63553534
methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 59671484
N-(2-fluorophenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 66796663

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole (CID 66797247) is 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is Fc1ccc2nc(N3CCNCC3COc3cccnc3)oc2c1.
What is the InChIKey of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is ICZRDADPLBRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14/h1-5,8,10,13,20H,6-7,9,11H2.
What are the key properties of 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole?
6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 328.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 66797247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).