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

C12H19N7O2 — CID 46990725

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)Cn1cnnn1
InChIInChI=1S/C12H19N7O2/c1-4-18(12(20)7-19-8-13-16-17-19)6-10-14-11(21-15-10)5-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyAOSPXKKRWVDSGZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.30
Rot. Bonds7

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

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 46990725) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID46990725
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)Cn1cnnn1
InChIInChI=1S/C12H19N7O2/c1-4-18(12(20)7-19-8-13-16-17-19)6-10-14-11(21-15-10)5-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyAOSPXKKRWVDSGZ-UHFFFAOYSA-N
XLogP0.30
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 46990725) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide is CCN(Cc1noc(CC(C)C)n1)C(=O)Cn1cnnn1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is AOSPXKKRWVDSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-4-18(12(20)7-19-8-13-16-17-19)6-10-14-11(21-15-10)5-9(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 46990725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).