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

C7H14N4O — CID 83827200

IUPACN'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)c1noc(NCCN)n1
InChIInChI=1S/C7H14N4O/c1-5(2)6-10-7(12-11-6)9-4-3-8/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyJJXOZMBWMAGEPE-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.56
Rot. Bonds4

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

N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine (PubChem CID 83827200) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
PubChem CID83827200
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
SMILESCC(C)c1noc(NCCN)n1
InChIInChI=1S/C7H14N4O/c1-5(2)6-10-7(12-11-6)9-4-3-8/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyJJXOZMBWMAGEPE-UHFFFAOYSA-N
XLogP0.56
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
CID 83828774
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)amino]-N-propylacetamide
CID 133383063
1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 166271466
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 79617105
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 63717997
N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827051
1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 133351555
2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 133496790
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086

Frequently Asked Questions

What is the IUPAC name of N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine (CID 83827200) is N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine is CC(C)c1noc(NCCN)n1.
What is the InChIKey of N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is JJXOZMBWMAGEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(2)6-10-7(12-11-6)9-4-3-8/h5H,3-4,8H2,1-2H3,(H,9,10,11).
What are the key properties of N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 170.22 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 83827200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).