4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide

C18H20N4O4 — CID 50975170

IUPAC4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)noc1C
InChIInChI=1S/C18H20N4O4/c1-11-6-5-7-13(8-11)17-19-15(26-21-17)9-22(3)18(23)16-14(10-24-4)12(2)25-20-16/h5-8H,9-10H2,1-4H3
InChIKeyTVCSQEXAYBQZLU-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.76
Rot. Bonds6

About 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide

4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 50975170) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID50975170
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)noc1C
InChIInChI=1S/C18H20N4O4/c1-11-6-5-7-13(8-11)17-19-15(26-21-17)9-22(3)18(23)16-14(10-24-4)12(2)25-20-16/h5-8H,9-10H2,1-4H3
InChIKeyTVCSQEXAYBQZLU-UHFFFAOYSA-N
XLogP2.76
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamoyl]phenyl] acetate
CID 8894691
2-chloro-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6471652
N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835651
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132660166
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 84860842
N,2-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide
CID 8874577
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706341
(2R)-2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 7425589
2-(3-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132657248
4-(methoxymethyl)-N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56871396
3-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic acid;hydrochloride
CID 119911331
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide (CID 50975170) is 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide is COCc1c(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)noc1C.
What is the InChIKey of 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is TVCSQEXAYBQZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-6-5-7-13(8-11)17-19-15(26-21-17)9-22(3)18(23)16-14(10-24-4)12(2)25-20-16/h5-8H,9-10H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide?
4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50975170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).