2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine

C8H16N4O — CID 83828774

IUPAC2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc(C(C)C)no1
InChIInChI=1S/C8H16N4O/c1-5(2)7-11-8(13-12-7)10-6(3)4-9/h5-6H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyRMRVLIVKCPAFLH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.95
Rot. Bonds4

About 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine

2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine (PubChem CID 83828774) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
PubChem CID83828774
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc(C(C)C)no1
InChIInChI=1S/C8H16N4O/c1-5(2)7-11-8(13-12-7)10-6(3)4-9/h5-6H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyRMRVLIVKCPAFLH-UHFFFAOYSA-N
XLogP0.95
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827200
N-hept-6-en-2-yl-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133436111
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 97085786
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
CID 122049666
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 130621708
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133346270
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 133351246

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine (CID 83828774) is 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine is CC(CN)Nc1nc(C(C)C)no1.
What is the InChIKey of 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine?
The InChIKey is RMRVLIVKCPAFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5(2)7-11-8(13-12-7)10-6(3)4-9/h5-6H,4,9H2,1-3H3,(H,10,11,12).
What are the key properties of 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine?
2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine has a molecular weight of 184.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine is sourced from PubChem (CID 83828774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).