4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C11H15N5O2 — CID 82895923

IUPAC4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCn1cncc1-c1noc(C2(C)COCC2N)n1
InChIInChI=1S/C11H15N5O2/c1-11(5-17-4-8(11)12)10-14-9(15-18-10)7-3-13-6-16(7)2/h3,6,8H,4-5,12H2,1-2H3
InChIKeyRLZUUQPWEXQSMW-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.09
Rot. Bonds2

About 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 82895923) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID82895923
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCn1cncc1-c1noc(C2(C)COCC2N)n1
InChIInChI=1S/C11H15N5O2/c1-11(5-17-4-8(11)12)10-14-9(15-18-10)7-3-13-6-16(7)2/h3,6,8H,4-5,12H2,1-2H3
InChIKeyRLZUUQPWEXQSMW-UHFFFAOYSA-N
XLogP0.09
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 82895923) is 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is Cn1cncc1-c1noc(C2(C)COCC2N)n1.
What is the InChIKey of 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is RLZUUQPWEXQSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-11(5-17-4-8(11)12)10-14-9(15-18-10)7-3-13-6-16(7)2/h3,6,8H,4-5,12H2,1-2H3.
What are the key properties of 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 249.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 82895923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).