N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide

C16H17N7O3 — CID 118779570

IUPACN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C16H17N7O3/c24-15(12-5-3-11(4-6-12)9-23-10-18-21-22-23)17-8-14-19-16(26-20-14)13-2-1-7-25-13/h3-6,10,13H,1-2,7-9H2,(H,17,24)
InChIKeyMGAFSDDNJTYNLD-UHFFFAOYSA-N
MW355.36 g/mol
LogP0.89
Rot. Bonds6

About N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide

N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 118779570) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID118779570
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC NameN-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1noc(C2CCCO2)n1)c1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C16H17N7O3/c24-15(12-5-3-11(4-6-12)9-23-10-18-21-22-23)17-8-14-19-16(26-20-14)13-2-1-7-25-13/h3-6,10,13H,1-2,7-9H2,(H,17,24)
InChIKeyMGAFSDDNJTYNLD-UHFFFAOYSA-N
XLogP0.89
TPSA120.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125168186
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131925451
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 124757992
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
1-methyl-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125156952
5-methyl-4-oxo-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154570551
3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 118786622
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 95729991
[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 131897141
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 91637708

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide (CID 118779570) is N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide is O=C(NCc1noc(C2CCCO2)n1)c1ccc(Cn2cnnn2)cc1.
What is the InChIKey of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is MGAFSDDNJTYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c24-15(12-5-3-11(4-6-12)9-23-10-18-21-22-23)17-8-14-19-16(26-20-14)13-2-1-7-25-13/h3-6,10,13H,1-2,7-9H2,(H,17,24).
What are the key properties of N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 355.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 118779570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).