(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine

C13H15N3O2 — CID 93243858

IUPAC(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1[C@H](N)c1noc(C2CC2)n1
InChIInChI=1S/C13H15N3O2/c1-17-10-5-3-2-4-9(10)11(14)12-15-13(18-16-12)8-6-7-8/h2-5,8,11H,6-7,14H2,1H3/t11-/m0/s1
InChIKeyVRFCIKMILFCJFH-NSHDSACASA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds4

About (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine

(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine (PubChem CID 93243858) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
PubChem CID93243858
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1[C@H](N)c1noc(C2CC2)n1
InChIInChI=1S/C13H15N3O2/c1-17-10-5-3-2-4-9(10)11(14)12-15-13(18-16-12)8-6-7-8/h2-5,8,11H,6-7,14H2,1H3/t11-/m0/s1
InChIKeyVRFCIKMILFCJFH-NSHDSACASA-N
XLogP2.00
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine 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-methoxyphenyl)-[5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 167861725
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
CID 104504558
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83091641
(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 115959894
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
CID 43559726
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43559769
(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559740
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 43559371
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 54980431
(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346630

Frequently Asked Questions

What is the IUPAC name of (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine (CID 93243858) is (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine is COc1ccccc1[C@H](N)c1noc(C2CC2)n1.
What is the InChIKey of (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine?
The InChIKey is VRFCIKMILFCJFH-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-10-5-3-2-4-9(10)11(14)12-15-13(18-16-12)8-6-7-8/h2-5,8,11H,6-7,14H2,1H3/t11-/m0/s1.
What are the key properties of (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine?
(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine has a molecular weight of 245.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 93243858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).