5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

C12H22N4O3 — CID 106959575

IUPAC5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCN(CCOC)c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H22N4O3/c1-17-7-5-16(6-8-18-2)12-15-14-11(19-12)9-13-10-3-4-10/h10,13H,3-9H2,1-2H3
InChIKeyKJMYYHRVNCYVTA-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.42
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959575) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959575
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCN(CCOC)c1nnc(CNC2CC2)o1
InChIInChI=1S/C12H22N4O3/c1-17-7-5-16(6-8-18-2)12-15-14-11(19-12)9-13-10-3-4-10/h10,13H,3-9H2,1-2H3
InChIKeyKJMYYHRVNCYVTA-UHFFFAOYSA-N
XLogP0.42
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(cyclopropylamino)methyl]-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 82468411
5-[(cyclopropylamino)methyl]-N-methyl-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968742
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
N-ethyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970932
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
5-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)-1,3,4-oxadiazol-2-amine
CID 114131451
5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971055
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106960156
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106968014
5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106959586
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 62753260

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (CID 106959575) is 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is COCCN(CCOC)c1nnc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KJMYYHRVNCYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-17-7-5-16(6-8-18-2)12-15-14-11(19-12)9-13-10-3-4-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 270.33 g/mol, XLogP of 0.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).