3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

C26H27FN4O3 — CID 53104980

IUPAC3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc2oc(-c3noc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)n3)c(C)c2c1
InChIInChI=1S/C26H27FN4O3/c1-16-7-8-22-20(13-16)17(2)23(33-22)24-29-26(34-30-24)25(32)28-14-18-9-11-31(12-10-18)15-19-5-3-4-6-21(19)27/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,28,32)
InChIKeyRELGIHHVEWZBDP-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.88
Rot. Bonds6

About 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53104980) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53104980
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc2oc(-c3noc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)n3)c(C)c2c1
InChIInChI=1S/C26H27FN4O3/c1-16-7-8-22-20(13-16)17(2)23(33-22)24-29-26(34-30-24)25(32)28-14-18-9-11-31(12-10-18)15-19-5-3-4-6-21(19)27/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,28,32)
InChIKeyRELGIHHVEWZBDP-UHFFFAOYSA-N
XLogP4.88
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-(3,5-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104966
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104933
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104839
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324731
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186556
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
(4-benzylpiperidin-1-yl)-[3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 53104831
N-[2-(4-chlorophenyl)ethyl]-3-(5-methoxy-3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104986
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104923
1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 22430495

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 53104980) is 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1ccc2oc(-c3noc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)n3)c(C)c2c1.
What is the InChIKey of 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RELGIHHVEWZBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-16-7-8-22-20(13-16)17(2)23(33-22)24-29-26(34-30-24)25(32)28-14-18-9-11-31(12-10-18)15-19-5-3-4-6-21(19)27/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,28,32).
What are the key properties of 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-benzofuran-2-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53104980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).