(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C13H13N5O — CID 103832487

IUPAC(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCn1cc(-c2noc([C@@H](N)c3ccccc3)n2)cn1
InChIInChI=1S/C13H13N5O/c1-18-8-10(7-15-18)12-16-13(19-17-12)11(14)9-5-3-2-4-6-9/h2-8,11H,14H2,1H3/t11-/m0/s1
InChIKeyMXOCAUBSUNBLPI-NSHDSACASA-N
MW255.28 g/mol
LogP1.52
Rot. Bonds3

About (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 103832487) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID103832487
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCn1cc(-c2noc([C@@H](N)c3ccccc3)n2)cn1
InChIInChI=1S/C13H13N5O/c1-18-8-10(7-15-18)12-16-13(19-17-12)11(14)9-5-3-2-4-6-9/h2-8,11H,14H2,1H3/t11-/m0/s1
InChIKeyMXOCAUBSUNBLPI-NSHDSACASA-N
XLogP1.52
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (S)-[3-(1-methylpyrazol-4-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

(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 115288859
(1R)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832488
2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65196341
(R)-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 106847418
4-[(2S)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905731
4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905732
5-(diethoxymethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65197961
(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 115528737
4-[5-[amino(phenyl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888836
(R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 93025431
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497

Frequently Asked Questions

What is the IUPAC name of (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 103832487) is (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is Cn1cc(-c2noc([C@@H](N)c3ccccc3)n2)cn1.
What is the InChIKey of (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is MXOCAUBSUNBLPI-NSHDSACASA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-8-10(7-15-18)12-16-13(19-17-12)11(14)9-5-3-2-4-6-9/h2-8,11H,14H2,1H3/t11-/m0/s1.
What are the key properties of (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 103832487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).