(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C14H17N3O2 — CID 104898719

IUPAC(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCC1(c2noc([C@H](N)c3ccccc3)n2)CCCO1
InChIInChI=1S/C14H17N3O2/c1-14(8-5-9-18-14)13-16-12(19-17-13)11(15)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,15H2,1H3/t11-,14?/m1/s1
InChIKeyBCDQYMDBGJYPMK-YNODCEANSA-N
MW259.31 g/mol
LogP2.14
Rot. Bonds3

About (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 104898719) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID104898719
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCC1(c2noc([C@H](N)c3ccccc3)n2)CCCO1
InChIInChI=1S/C14H17N3O2/c1-14(8-5-9-18-14)13-16-12(19-17-13)11(15)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,15H2,1H3/t11-,14?/m1/s1
InChIKeyBCDQYMDBGJYPMK-YNODCEANSA-N
XLogP2.14
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 80683512
5-[chloro(phenyl)methyl]-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80691775
(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898800
(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565487
3-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80690086
4-methoxy-1-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81084550
N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80690087
3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80689965
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116807952
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80681354

Frequently Asked Questions

What is the IUPAC name of (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 104898719) is (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is CC1(c2noc([C@H](N)c3ccccc3)n2)CCCO1.
What is the InChIKey of (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is BCDQYMDBGJYPMK-YNODCEANSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(8-5-9-18-14)13-16-12(19-17-13)11(15)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9,15H2,1H3/t11-,14?/m1/s1.
What are the key properties of (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 259.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 104898719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).