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

C15H28N4O2 — CID 87015031

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C15H28N4O2/c1-6-8-16-12(20)10-19(9-7-2)11-13-17-18-14(21-13)15(3,4)5/h6-11H2,1-5H3,(H,16,20)
InChIKeyGWRJVNRPXIUILZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.11
Rot. Bonds8

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

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide (PubChem CID 87015031) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide
PubChem CID87015031
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C15H28N4O2/c1-6-8-16-12(20)10-19(9-7-2)11-13-17-18-14(21-13)15(3,4)5/h6-11H2,1-5H3,(H,16,20)
InChIKeyGWRJVNRPXIUILZ-UHFFFAOYSA-N
XLogP2.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetyl]amino]-N-propylacetamide
CID 8689520
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[butyl-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]amino]ethanol
CID 62015618
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]-N-(propylcarbamoyl)acetamide
CID 9370842
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]ethanol
CID 62020627
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631711
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid
CID 55123359
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856771
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
N-butyl-2-(dipropylamino)acetamide
CID 54817378

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide (CID 87015031) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide?
The InChIKey is GWRJVNRPXIUILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-8-16-12(20)10-19(9-7-2)11-13-17-18-14(21-13)15(3,4)5/h6-11H2,1-5H3,(H,16,20).
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide has a molecular weight of 296.42 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-propylamino]-N-propylacetamide is sourced from PubChem (CID 87015031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).