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

C13H17N5O2 — CID 106960831

IUPAC5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(CNc2nnc(CNC3CC3)o2)ccn1
InChIInChI=1S/C13H17N5O2/c1-19-11-6-9(4-5-14-11)7-16-13-18-17-12(20-13)8-15-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyYQZIXUYADQCSCY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.34
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960831) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960831
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(CNc2nnc(CNC3CC3)o2)ccn1
InChIInChI=1S/C13H17N5O2/c1-19-11-6-9(4-5-14-11)7-16-13-18-17-12(20-13)8-15-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyYQZIXUYADQCSCY-UHFFFAOYSA-N
XLogP1.34
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961019
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 62291856
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960369
5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960617
N-(2-chloro-5-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969888
N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 24656847
N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 62990035
5-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)-1,3,4-oxadiazol-2-amine
CID 114131451
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 62296267

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine (CID 106960831) is 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is COc1cc(CNc2nnc(CNC3CC3)o2)ccn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YQZIXUYADQCSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-19-11-6-9(4-5-14-11)7-16-13-18-17-12(20-13)8-15-10-2-3-10/h4-6,10,15H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 275.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).