N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

C15H17N7O3 — CID 119071922

IUPACN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCOCc1noc(CNC(=O)c2ccc(Cn3nnnc3C)cc2)n1
InChIInChI=1S/C15H17N7O3/c1-10-18-20-21-22(10)8-11-3-5-12(6-4-11)15(23)16-7-14-17-13(9-24-2)19-25-14/h3-6H,7-9H2,1-2H3,(H,16,23)
InChIKeyQXDYPBWWUIUQOG-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.49
Rot. Bonds7

About N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (PubChem CID 119071922) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
PubChem CID119071922
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC NameN-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
SMILESCOCc1noc(CNC(=O)c2ccc(Cn3nnnc3C)cc2)n1
InChIInChI=1S/C15H17N7O3/c1-10-18-20-21-22(10)8-11-3-5-12(6-4-11)15(23)16-7-14-17-13(9-24-2)19-25-14/h3-6H,7-9H2,1-2H3,(H,16,23)
InChIKeyQXDYPBWWUIUQOG-UHFFFAOYSA-N
XLogP0.49
TPSA120.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72932689
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 119072785
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 122562885
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
methyl 3-hydroxy-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]benzoate
CID 122572331
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 119062894
4-propan-2-yloxy-N-[[3-[(4-propan-2-ylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 166213376
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 70752728
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2-pyrrol-1-ylpropanamide
CID 122558648
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 125440172

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide (CID 119071922) is N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is COCc1noc(CNC(=O)c2ccc(Cn3nnnc3C)cc2)n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
The InChIKey is QXDYPBWWUIUQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-10-18-20-21-22(10)8-11-3-5-12(6-4-11)15(23)16-7-14-17-13(9-24-2)19-25-14/h3-6H,7-9H2,1-2H3,(H,16,23).
What are the key properties of N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide?
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide has a molecular weight of 343.35 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 119071922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).