4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

C17H17N5O2S — CID 127867088

IUPAC4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESc1nc(C2CC2)c(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)s1
InChIInChI=1S/C17H17N5O2S/c1-2-11(1)14-15(25-10-19-14)17-20-16(21-24-17)12-3-4-13(18-9-12)22-5-7-23-8-6-22/h3-4,9-11H,1-2,5-8H2
InChIKeyUTMDIDBUVHFXCD-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.97
Rot. Bonds4

About 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine

4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 127867088) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
PubChem CID127867088
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
SMILESc1nc(C2CC2)c(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)s1
InChIInChI=1S/C17H17N5O2S/c1-2-11(1)14-15(25-10-19-14)17-20-16(21-24-17)12-3-4-13(18-9-12)22-5-7-23-8-6-22/h3-4,9-11H,1-2,5-8H2
InChIKeyUTMDIDBUVHFXCD-UHFFFAOYSA-N
XLogP2.97
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine 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-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine (CID 127867088) is 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is c1nc(C2CC2)c(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)s1.
What is the InChIKey of 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is UTMDIDBUVHFXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-11(1)14-15(25-10-19-14)17-20-16(21-24-17)12-3-4-13(18-9-12)22-5-7-23-8-6-22/h3-4,9-11H,1-2,5-8H2.
What are the key properties of 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine?
4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 355.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(4-cyclopropyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 127867088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).