2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide

C14H27N5O2 — CID 106971169

IUPAC2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C14H27N5O2/c1-7-19(9-11(20)16-10(2)3)13-18-17-12(21-13)8-15-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,20)
InChIKeyKBRBXNGRMRNUAU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.31
Rot. Bonds7

About 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide

2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 106971169) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID106971169
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C14H27N5O2/c1-7-19(9-11(20)16-10(2)3)13-18-17-12(21-13)8-15-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,20)
InChIKeyKBRBXNGRMRNUAU-UHFFFAOYSA-N
XLogP1.31
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106959438
N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106971369
5-[(tert-butylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106963085
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961668
5-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964210
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106971108
N-ethyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970932
2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106970609
2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80632069

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide (CID 106971169) is 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is KBRBXNGRMRNUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-7-19(9-11(20)16-10(2)3)13-18-17-12(21-13)8-15-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,20).
What are the key properties of 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide?
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 297.40 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106971169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).