5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine

C7H14N4O — CID 68737971

IUPAC5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(C)[C@H](N)c1nnc(N)o1
InChIInChI=1S/C7H14N4O/c1-3-4(2)5(8)6-10-11-7(9)12-6/h4-5H,3,8H2,1-2H3,(H2,9,11)/t4?,5-/m0/s1
InChIKeyAXZZPPVZAXDMAA-AKGZTFGVSA-N
MW170.22 g/mol
LogP0.70
Rot. Bonds3

About 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine

5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine (PubChem CID 68737971) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine
PubChem CID68737971
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(C)[C@H](N)c1nnc(N)o1
InChIInChI=1S/C7H14N4O/c1-3-4(2)5(8)6-10-11-7(9)12-6/h4-5H,3,8H2,1-2H3,(H2,9,11)/t4?,5-/m0/s1
InChIKeyAXZZPPVZAXDMAA-AKGZTFGVSA-N
XLogP0.70
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine (CID 68737971) is 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine is CCC(C)[C@H](N)c1nnc(N)o1.
What is the InChIKey of 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AXZZPPVZAXDMAA-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-4(2)5(8)6-10-11-7(9)12-6/h4-5H,3,8H2,1-2H3,(H2,9,11)/t4?,5-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine?
5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 170.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 68737971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).