[2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone

C19H25ClN4O3 — CID 138997019

IUPAC[2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCOCCc1noc(CNc2ccc(C(=O)N3CCCCC3C)c(Cl)c2)n1
InChIInChI=1S/C19H25ClN4O3/c1-13-5-3-4-9-24(13)19(25)15-7-6-14(11-16(15)20)21-12-18-22-17(23-27-18)8-10-26-2/h6-7,11,13,21H,3-5,8-10,12H2,1-2H3
InChIKeyFRIMQPZZHDBKKQ-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.54
Rot. Bonds7

About [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone

[2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 138997019) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID138997019
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name[2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCOCCc1noc(CNc2ccc(C(=O)N3CCCCC3C)c(Cl)c2)n1
InChIInChI=1S/C19H25ClN4O3/c1-13-5-3-4-9-24(13)19(25)15-7-6-14(11-16(15)20)21-12-18-22-17(23-27-18)8-10-26-2/h6-7,11,13,21H,3-5,8-10,12H2,1-2H3
InChIKeyFRIMQPZZHDBKKQ-UHFFFAOYSA-N
XLogP3.54
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone 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 [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone (CID 138997019) is [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone is COCCc1noc(CNc2ccc(C(=O)N3CCCCC3C)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is FRIMQPZZHDBKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-13-5-3-4-9-24(13)19(25)15-7-6-14(11-16(15)20)21-12-18-22-17(23-27-18)8-10-26-2/h6-7,11,13,21H,3-5,8-10,12H2,1-2H3.
What are the key properties of [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone?
[2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 392.89 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 138997019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).