4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine

C18H22FN3O2 — CID 138055444

IUPAC4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine
SMILESCC(C)(CN1CCOCC1)c1nc(C2Cc3ccc(F)cc32)no1
InChIInChI=1S/C18H22FN3O2/c1-18(2,11-22-5-7-23-8-6-22)17-20-16(21-24-17)15-9-12-3-4-13(19)10-14(12)15/h3-4,10,15H,5-9,11H2,1-2H3
InChIKeySRSXTYFWQLXBOQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.51
Rot. Bonds4

About 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine

4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine (PubChem CID 138055444) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine
PubChem CID138055444
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine
SMILESCC(C)(CN1CCOCC1)c1nc(C2Cc3ccc(F)cc32)no1
InChIInChI=1S/C18H22FN3O2/c1-18(2,11-22-5-7-23-8-6-22)17-20-16(21-24-17)15-9-12-3-4-13(19)10-14(12)15/h3-4,10,15H,5-9,11H2,1-2H3
InChIKeySRSXTYFWQLXBOQ-UHFFFAOYSA-N
XLogP2.51
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
CID 126814460
2-[5-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-naphthalen-1-ylacetamide
CID 167824879
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
CID 64982488
3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886024
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501467
4-(6-fluoro-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl)morpholine
CID 82275749
1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropan-2-amine
CID 120848726
4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one
CID 47068005
2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
CID 117111920
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
4-[(5-fluoro-2-iodophenyl)methyl]morpholine
CID 154827579
4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 165459054

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine?
The IUPAC name of 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine (CID 138055444) is 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine.
What is the SMILES notation for 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine?
The canonical SMILES for 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine is CC(C)(CN1CCOCC1)c1nc(C2Cc3ccc(F)cc32)no1.
What is the InChIKey of 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine?
The InChIKey is SRSXTYFWQLXBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2,11-22-5-7-23-8-6-22)17-20-16(21-24-17)15-9-12-3-4-13(19)10-14(12)15/h3-4,10,15H,5-9,11H2,1-2H3.
What are the key properties of 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine?
4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine has a molecular weight of 331.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine is sourced from PubChem (CID 138055444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).