N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine

C13H20N4O2 — CID 131904458

IUPACN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(NCc2cc(CC(C)C)no2)no1
InChIInChI=1S/C13H20N4O2/c1-4-5-12-15-13(17-19-12)14-8-11-7-10(16-18-11)6-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,14,17)
InChIKeyWRANZHAIUCSHHG-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.82
Rot. Bonds7

About N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine

N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine (PubChem CID 131904458) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine
PubChem CID131904458
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine
SMILESCCCc1nc(NCc2cc(CC(C)C)no2)no1
InChIInChI=1S/C13H20N4O2/c1-4-5-12-15-13(17-19-12)14-8-11-7-10(16-18-11)6-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,14,17)
InChIKeyWRANZHAIUCSHHG-UHFFFAOYSA-N
XLogP2.82
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine (CID 131904458) is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine is CCCc1nc(NCc2cc(CC(C)C)no2)no1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine?
The InChIKey is WRANZHAIUCSHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-5-12-15-13(17-19-12)14-8-11-7-10(16-18-11)6-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,14,17).
What are the key properties of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine?
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine has a molecular weight of 264.33 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5-propyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 131904458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).