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

C16H19N7O2 — CID 131923845

IUPACN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(C)Cc1nc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)no1
InChIInChI=1S/C16H19N7O2/c1-11(2)8-15-18-14(19-25-15)9-22(3)16(24)12-4-6-13(7-5-12)23-10-17-20-21-23/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUGMIGAABLGAIJG-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.52
Rot. Bonds6

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

N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 131923845) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID131923845
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESCC(C)Cc1nc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)no1
InChIInChI=1S/C16H19N7O2/c1-11(2)8-15-18-14(19-25-15)9-22(3)16(24)12-4-6-13(7-5-12)23-10-17-20-21-23/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUGMIGAABLGAIJG-UHFFFAOYSA-N
XLogP1.52
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 32544801
3-[methyl-[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 60988731
N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 56911908
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
1-[4-(2-methylpropyl)phenyl]tetrazole
CID 153454015
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide
CID 119064683
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72871125
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 131898274
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide (CID 131923845) is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide is CC(C)Cc1nc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2)no1.
What is the InChIKey of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is UGMIGAABLGAIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-11(2)8-15-18-14(19-25-15)9-22(3)16(24)12-4-6-13(7-5-12)23-10-17-20-21-23/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide?
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 341.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 131923845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).