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

C17H21N7O2 — CID 74239494

IUPACN-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCC(C)Cc1noc(C(C)NC(=O)c2ccc(Cn3cnnn3)cc2)n1
InChIInChI=1S/C17H21N7O2/c1-11(2)8-15-20-17(26-21-15)12(3)19-16(25)14-6-4-13(5-7-14)9-24-10-18-22-23-24/h4-7,10-12H,8-9H2,1-3H3,(H,19,25)
InChIKeyATAJAHUXTKALAQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.79
Rot. Bonds7

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

N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide (PubChem CID 74239494) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide
PubChem CID74239494
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide
SMILESCC(C)Cc1noc(C(C)NC(=O)c2ccc(Cn3cnnn3)cc2)n1
InChIInChI=1S/C17H21N7O2/c1-11(2)8-15-20-17(26-21-15)12(3)19-16(25)14-6-4-13(5-7-14)9-24-10-18-22-23-24/h4-7,10-12H,8-9H2,1-3H3,(H,19,25)
InChIKeyATAJAHUXTKALAQ-UHFFFAOYSA-N
XLogP1.79
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide (CID 74239494) is N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide is CC(C)Cc1noc(C(C)NC(=O)c2ccc(Cn3cnnn3)cc2)n1.
What is the InChIKey of N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
The InChIKey is ATAJAHUXTKALAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11(2)8-15-20-17(26-21-15)12(3)19-16(25)14-6-4-13(5-7-14)9-24-10-18-22-23-24/h4-7,10-12H,8-9H2,1-3H3,(H,19,25).
What are the key properties of N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide?
N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide has a molecular weight of 355.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(tetrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 74239494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).