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

C13H15N3O2 — CID 66240481

IUPAC4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1ccccc1-c1noc(C2COCC2N)n1
InChIInChI=1S/C13H15N3O2/c1-8-4-2-3-5-9(8)12-15-13(18-16-12)10-6-17-7-11(10)14/h2-5,10-11H,6-7,14H2,1H3
InChIKeyBIQAJTQZQCTSGQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.49
Rot. Bonds2

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

4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66240481) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66240481
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1ccccc1-c1noc(C2COCC2N)n1
InChIInChI=1S/C13H15N3O2/c1-8-4-2-3-5-9(8)12-15-13(18-16-12)10-6-17-7-11(10)14/h2-5,10-11H,6-7,14H2,1H3
InChIKeyBIQAJTQZQCTSGQ-UHFFFAOYSA-N
XLogP1.49
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240288
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 104797798
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253070
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 60811920
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474338
4-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239287
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239289
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 113329133
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 66238041
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238695
5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66240481) is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is Cc1ccccc1-c1noc(C2COCC2N)n1.
What is the InChIKey of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is BIQAJTQZQCTSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-2-3-5-9(8)12-15-13(18-16-12)10-6-17-7-11(10)14/h2-5,10-11H,6-7,14H2,1H3.
What are the key properties of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 245.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66240481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).