3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide

C12H21N5O2 — CID 106281003

IUPAC3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5O2/c1-12(2,10(18)13-3)7-15-11-17-16-9(19-11)6-14-8-4-5-8/h8,14H,4-7H2,1-3H3,(H,13,18)(H,15,17)
InChIKeyIVLXKIHBMGJHMC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.51
Rot. Bonds7

About 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide

3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106281003) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide
PubChem CID106281003
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5O2/c1-12(2,10(18)13-3)7-15-11-17-16-9(19-11)6-14-8-4-5-8/h8,14H,4-7H2,1-3H3,(H,13,18)(H,15,17)
InChIKeyIVLXKIHBMGJHMC-UHFFFAOYSA-N
XLogP0.51
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide (CID 106281003) is 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nnc(CNC2CC2)o1.
What is the InChIKey of 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is IVLXKIHBMGJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-12(2,10(18)13-3)7-15-11-17-16-9(19-11)6-14-8-4-5-8/h8,14H,4-7H2,1-3H3,(H,13,18)(H,15,17).
What are the key properties of 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide?
3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106281003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).