4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine

C15H18N4O2 — CID 116807505

IUPAC4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc2c(cc1-c1nc(N3CCOCC3)no1)CNCC2
InChIInChI=1S/C15H18N4O2/c1-2-12(9-13-10-16-4-3-11(1)13)14-17-15(18-21-14)19-5-7-20-8-6-19/h1-2,9,16H,3-8,10H2
InChIKeyCYPMZSGJWGXIHP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.22
Rot. Bonds2

About 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine

4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 116807505) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID116807505
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc2c(cc1-c1nc(N3CCOCC3)no1)CNCC2
InChIInChI=1S/C15H18N4O2/c1-2-12(9-13-10-16-4-3-11(1)13)14-17-15(18-21-14)19-5-7-20-8-6-19/h1-2,9,16H,3-8,10H2
InChIKeyCYPMZSGJWGXIHP-UHFFFAOYSA-N
XLogP1.22
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1H-isoindol-5-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806663
2-fluoro-5-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807492
7-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167960643
2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807469
4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 10037288
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527061
4-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 147324404
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 103999564
5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 134478518
3-fluoro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 107795630
7-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 58416433
5-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-bromoaniline
CID 107813852

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 116807505) is 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine is c1cc2c(cc1-c1nc(N3CCOCC3)no1)CNCC2.
What is the InChIKey of 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is CYPMZSGJWGXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-12(9-13-10-16-4-3-11(1)13)14-17-15(18-21-14)19-5-7-20-8-6-19/h1-2,9,16H,3-8,10H2.
What are the key properties of 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine?
4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 286.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 116807505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).