5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one

C7H13N3O2 — CID 84654091

IUPAC5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCC(C)C(N)c1nn(C)c(=O)o1
InChIInChI=1S/C7H13N3O2/c1-4(2)5(8)6-9-10(3)7(11)12-6/h4-5H,8H2,1-3H3
InChIKeyQFEMWSOMJBMSQT-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.03
Rot. Bonds2

About 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one

5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 84654091) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID84654091
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCC(C)C(N)c1nn(C)c(=O)o1
InChIInChI=1S/C7H13N3O2/c1-4(2)5(8)6-9-10(3)7(11)12-6/h4-5H,8H2,1-3H3
InChIKeyQFEMWSOMJBMSQT-UHFFFAOYSA-N
XLogP0.03
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one (CID 84654091) is 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one is CC(C)C(N)c1nn(C)c(=O)o1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is QFEMWSOMJBMSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4(2)5(8)6-9-10(3)7(11)12-6/h4-5H,8H2,1-3H3.
What are the key properties of 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one?
5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 84654091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).