4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

C17H18N4O3S — CID 20930528

IUPAC4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESCc1oc(-c2ccccc2)nc1COc1nsnc1N1CCOCC1
InChIInChI=1S/C17H18N4O3S/c1-12-14(18-16(24-12)13-5-3-2-4-6-13)11-23-17-15(19-25-20-17)21-7-9-22-10-8-21/h2-6H,7-11H2,1H3
InChIKeyJAZHGEILARONCX-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.92
Rot. Bonds5

About 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 20930528) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID20930528
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESCc1oc(-c2ccccc2)nc1COc1nsnc1N1CCOCC1
InChIInChI=1S/C17H18N4O3S/c1-12-14(18-16(24-12)13-5-3-2-4-6-13)11-23-17-15(19-25-20-17)21-7-9-22-10-8-21/h2-6H,7-11H2,1H3
InChIKeyJAZHGEILARONCX-UHFFFAOYSA-N
XLogP2.92
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (CID 20930528) is 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is Cc1oc(-c2ccccc2)nc1COc1nsnc1N1CCOCC1.
What is the InChIKey of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is JAZHGEILARONCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-12-14(18-16(24-12)13-5-3-2-4-6-13)11-23-17-15(19-25-20-17)21-7-9-22-10-8-21/h2-6H,7-11H2,1H3.
What are the key properties of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 358.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 20930528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).