5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine

C13H19N5O — CID 106969559

IUPAC5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NCCc2ccncc2)o1
InChIInChI=1S/C13H19N5O/c1-10(2)16-9-12-17-18-13(19-12)15-8-5-11-3-6-14-7-4-11/h3-4,6-7,10,16H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyPJKDJTHCARPQIF-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.62
Rot. Bonds7

About 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine

5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969559) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969559
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NCCc2ccncc2)o1
InChIInChI=1S/C13H19N5O/c1-10(2)16-9-12-17-18-13(19-12)15-8-5-11-3-6-14-7-4-11/h3-4,6-7,10,16H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyPJKDJTHCARPQIF-UHFFFAOYSA-N
XLogP1.62
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969561
5-(propylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969563
5-(1-chloroethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956807
5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959334
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-[2-(4-chlorophenyl)ethyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970408
1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea
CID 106964050
5-[(tert-butylamino)methyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966361
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966531
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106963665
N-[(2-bromophenyl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971211
N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106964866

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106969559) is 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(NCCc2ccncc2)o1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PJKDJTHCARPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)16-9-12-17-18-13(19-12)15-8-5-11-3-6-14-7-4-11/h3-4,6-7,10,16H,5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).