N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine

C10H15N5O — CID 75505973

IUPACN-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NCCn2ccnc2)n1
InChIInChI=1S/C10H15N5O/c1-8(2)9-13-10(16-14-9)12-4-6-15-5-3-11-7-15/h3,5,7-8H,4,6H2,1-2H3,(H,12,13,14)
InChIKeyPXKFQRASYWQTSD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.50
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine

N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 75505973) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID75505973
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)c1noc(NCCn2ccnc2)n1
InChIInChI=1S/C10H15N5O/c1-8(2)9-13-10(16-14-9)12-4-6-15-5-3-11-7-15/h3,5,7-8H,4,6H2,1-2H3,(H,12,13,14)
InChIKeyPXKFQRASYWQTSD-UHFFFAOYSA-N
XLogP1.50
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 75505973) is N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)c1noc(NCCn2ccnc2)n1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is PXKFQRASYWQTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(2)9-13-10(16-14-9)12-4-6-15-5-3-11-7-15/h3,5,7-8H,4,6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 221.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75505973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).