N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide

C12H19N7O2 — CID 122556090

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide
SMILESCC(C)(C)c1noc(CNC(=O)CCCn2cnnn2)n1
InChIInChI=1S/C12H19N7O2/c1-12(2,3)11-15-10(21-16-11)7-13-9(20)5-4-6-19-8-14-17-18-19/h8H,4-7H2,1-3H3,(H,13,20)
InChIKeySPCHXKHTJROHKT-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.45
Rot. Bonds6

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 122556090) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide
PubChem CID122556090
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide
SMILESCC(C)(C)c1noc(CNC(=O)CCCn2cnnn2)n1
InChIInChI=1S/C12H19N7O2/c1-12(2,3)11-15-10(21-16-11)7-13-9(20)5-4-6-19-8-14-17-18-19/h8H,4-7H2,1-3H3,(H,13,20)
InChIKeySPCHXKHTJROHKT-UHFFFAOYSA-N
XLogP0.45
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide (CID 122556090) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide is CC(C)(C)c1noc(CNC(=O)CCCn2cnnn2)n1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is SPCHXKHTJROHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-12(2,3)11-15-10(21-16-11)7-13-9(20)5-4-6-19-8-14-17-18-19/h8H,4-7H2,1-3H3,(H,13,20).
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 293.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 122556090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).