N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

C16H17N3O4 — CID 70752728

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCOCc1noc(CNC(=O)c2oc3cc(C)ccc3c2C)n1
InChIInChI=1S/C16H17N3O4/c1-9-4-5-11-10(2)15(22-12(11)6-9)16(20)17-7-14-18-13(8-21-3)19-23-14/h4-6H,7-8H2,1-3H3,(H,17,20)
InChIKeyOTHMNUYWVMPXMB-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.51
Rot. Bonds5

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 70752728) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
PubChem CID70752728
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
SMILESCOCc1noc(CNC(=O)c2oc3cc(C)ccc3c2C)n1
InChIInChI=1S/C16H17N3O4/c1-9-4-5-11-10(2)15(22-12(11)6-9)16(20)17-7-14-18-13(8-21-3)19-23-14/h4-6H,7-8H2,1-3H3,(H,17,20)
InChIKeyOTHMNUYWVMPXMB-UHFFFAOYSA-N
XLogP2.51
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3,6-dimethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 97121047
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
methyl 3-hydroxy-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]benzoate
CID 122572331
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 50985285
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95749640
3,6-dimethyl-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1-benzofuran-2-carboxamide
CID 97151461
2,5-dichloro-N-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 91833337
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 70711712
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 70752728) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is COCc1noc(CNC(=O)c2oc3cc(C)ccc3c2C)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is OTHMNUYWVMPXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9-4-5-11-10(2)15(22-12(11)6-9)16(20)17-7-14-18-13(8-21-3)19-23-14/h4-6H,7-8H2,1-3H3,(H,17,20).
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70752728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).