2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole

C18H18FN3O — CID 101403141

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCN(c4ccccc4F)CC3)nc2c1
InChIInChI=1S/C18H18FN3O/c1-13-6-7-17-15(12-13)20-18(23-17)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3
InChIKeyQMANILLVYHJDJO-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.60
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole

2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole (PubChem CID 101403141) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
PubChem CID101403141
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCN(c4ccccc4F)CC3)nc2c1
InChIInChI=1S/C18H18FN3O/c1-13-6-7-17-15(12-13)20-18(23-17)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3
InChIKeyQMANILLVYHJDJO-UHFFFAOYSA-N
XLogP3.60
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91643350
2-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 122143987
5-chloro-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108776801
2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119879906
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 133294868
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
1-(2-fluorophenyl)-4-(5-methylfuran-2-yl)piperazine
CID 143348974
[3-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole (CID 101403141) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole is Cc1ccc2oc(N3CCN(c4ccccc4F)CC3)nc2c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
The InChIKey is QMANILLVYHJDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-13-6-7-17-15(12-13)20-18(23-17)22-10-8-21(9-11-22)16-5-3-2-4-14(16)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole?
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole has a molecular weight of 311.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 101403141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).