4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide

C15H24N4O2 — CID 60560481

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide
SMILESCCCN(CC#N)C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C15H24N4O2/c1-5-10-19(11-9-16)13(20)8-6-7-12-17-14(18-21-12)15(2,3)4/h5-8,10-11H2,1-4H3
InChIKeyCBGVTUKTYJXPKM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds7

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide (PubChem CID 60560481) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide
PubChem CID60560481
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide
SMILESCCCN(CC#N)C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C15H24N4O2/c1-5-10-19(11-9-16)13(20)8-6-7-12-17-14(18-21-12)15(2,3)4/h5-8,10-11H2,1-4H3
InChIKeyCBGVTUKTYJXPKM-UHFFFAOYSA-N
XLogP2.45
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide (CID 60560481) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide is CCCN(CC#N)C(=O)CCCc1nc(C(C)(C)C)no1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide?
The InChIKey is CBGVTUKTYJXPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-10-19(11-9-16)13(20)8-6-7-12-17-14(18-21-12)15(2,3)4/h5-8,10-11H2,1-4H3.
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide is sourced from PubChem (CID 60560481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).