(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

C22H23N5O3 — CID 177135035

IUPAC(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCc1nc(-c2ccc(O)cc2)no1.Cn1nc(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C13H15N3O.C9H8N2O2/c1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16;1-6-10-9(11-13-6)7-2-4-8(12)5-3-7/h2-3,6-7H,4-5,8-9H2,1H3;2-5,12H,1H3
InChIKeyLEVKFVLKNLPRJW-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.56
Rot. Bonds2

About (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 177135035) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID177135035
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol
SMILESCc1nc(-c2ccc(O)cc2)no1.Cn1nc(C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C13H15N3O.C9H8N2O2/c1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16;1-6-10-9(11-13-6)7-2-4-8(12)5-3-7/h2-3,6-7H,4-5,8-9H2,1H3;2-5,12H,1H3
InChIKeyLEVKFVLKNLPRJW-UHFFFAOYSA-N
XLogP3.56
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol (CID 177135035) is (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol is Cc1nc(-c2ccc(O)cc2)no1.Cn1nc(C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is LEVKFVLKNLPRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.C9H8N2O2/c1-15-11-7-3-2-6-10(11)12(14-15)13(17)16-8-4-5-9-16;1-6-10-9(11-13-6)7-2-4-8(12)5-3-7/h2-3,6-7H,4-5,8-9H2,1H3;2-5,12H,1H3.
What are the key properties of (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol?
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 405.46 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone;4-(5-methyl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 177135035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).