3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole

C20H22FN3O3 — CID 8972416

IUPAC3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C20H22FN3O3/c1-25-18-5-4-16(21)11-15(18)13-23-6-8-24(9-7-23)14-17-12-20(27-22-17)19-3-2-10-26-19/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyXZQVTAMJEKIQOP-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.40
Rot. Bonds6

About 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole

3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole (PubChem CID 8972416) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
PubChem CID8972416
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C20H22FN3O3/c1-25-18-5-4-16(21)11-15(18)13-23-6-8-24(9-7-23)14-17-12-20(27-22-17)19-3-2-10-26-19/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyXZQVTAMJEKIQOP-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole with MolForge

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Related Compounds

(2,6-Dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 3463564
[5-(2-Furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
CID 4609473
4-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}morpholine
CID 3239637
N-benzyl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3241359
5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 3245765
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 6619139
N-(2-ethylphenyl)-5-(2-furyl)-3-isoxazolecarboxamide
CID 17253049
2-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 3237160
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 3238493
1-Benzhydryl-4-{[5-(2-furyl)isoxazol-3-yl]carbonyl}piperazine
CID 3241968
1-{[5-(2-Furyl)isoxazol-3-yl]carbonyl}-1,2,3,4-tetrahydroquinoline
CID 3242670
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butan-1-one
CID 5308433

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole (CID 8972416) is 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole is COc1ccc(F)cc1CN1CCN(Cc2cc(-c3ccco3)on2)CC1.
What is the InChIKey of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is XZQVTAMJEKIQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-25-18-5-4-16(21)11-15(18)13-23-6-8-24(9-7-23)14-17-12-20(27-22-17)19-3-2-10-26-19/h2-5,10-12H,6-9,13-14H2,1H3.
What are the key properties of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole?
3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 371.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 8972416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).