4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide

C18H25N5O3 — CID 55830826

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
SMILESCCc1noc(CCCC(=O)NCc2cccnc2N2CCOCC2)n1
InChIInChI=1S/C18H25N5O3/c1-2-15-21-17(26-22-15)7-3-6-16(24)20-13-14-5-4-8-19-18(14)23-9-11-25-12-10-23/h4-5,8H,2-3,6-7,9-13H2,1H3,(H,20,24)
InChIKeyYFHJRTZPNJZQBB-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.50
Rot. Bonds8

About 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide (PubChem CID 55830826) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
PubChem CID55830826
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
SMILESCCc1noc(CCCC(=O)NCc2cccnc2N2CCOCC2)n1
InChIInChI=1S/C18H25N5O3/c1-2-15-21-17(26-22-15)7-3-6-16(24)20-13-14-5-4-8-19-18(14)23-9-11-25-12-10-23/h4-5,8H,2-3,6-7,9-13H2,1H3,(H,20,24)
InChIKeyYFHJRTZPNJZQBB-UHFFFAOYSA-N
XLogP1.50
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide 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 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide (CID 55830826) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide is CCc1noc(CCCC(=O)NCc2cccnc2N2CCOCC2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
The InChIKey is YFHJRTZPNJZQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-2-15-21-17(26-22-15)7-3-6-16(24)20-13-14-5-4-8-19-18(14)23-9-11-25-12-10-23/h4-5,8H,2-3,6-7,9-13H2,1H3,(H,20,24).
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide has a molecular weight of 359.43 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 55830826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).