3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide

C21H22FN3O4 — CID 95787655

IUPAC3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
SMILESCO[C@H](C)c1noc(CN(C)C(=O)c2cccc(OCc3ccc(F)cc3)c2)n1
InChIInChI=1S/C21H22FN3O4/c1-14(27-3)20-23-19(29-24-20)12-25(2)21(26)16-5-4-6-18(11-16)28-13-15-7-9-17(22)10-8-15/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyRLQOPTFLMQYNOC-CQSZACIVSA-N
MW399.42 g/mol
LogP3.77
Rot. Bonds8

About 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide

3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide (PubChem CID 95787655) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
PubChem CID95787655
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide
SMILESCO[C@H](C)c1noc(CN(C)C(=O)c2cccc(OCc3ccc(F)cc3)c2)n1
InChIInChI=1S/C21H22FN3O4/c1-14(27-3)20-23-19(29-24-20)12-25(2)21(26)16-5-4-6-18(11-16)28-13-15-7-9-17(22)10-8-15/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyRLQOPTFLMQYNOC-CQSZACIVSA-N
XLogP3.77
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-[(4-fluorophenyl)methoxy]benzoate
CID 55546268
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 71869742
2-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide;hydrochloride
CID 119945957
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026418
N-[(4-fluorophenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55512005
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-propan-2-yloxybenzamide
CID 8779213
N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 31238590
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-chlorophenyl)methoxy]-N-methylbenzamide
CID 100750251
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide (CID 95787655) is 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide is CO[C@H](C)c1noc(CN(C)C(=O)c2cccc(OCc3ccc(F)cc3)c2)n1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide?
The InChIKey is RLQOPTFLMQYNOC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FN3O4/c1-14(27-3)20-23-19(29-24-20)12-25(2)21(26)16-5-4-6-18(11-16)28-13-15-7-9-17(22)10-8-15/h4-11,14H,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide?
3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide has a molecular weight of 399.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-N-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 95787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).