4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine

C16H21N3O2 — CID 170870106

IUPAC4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine
SMILESCc1noc(-c2ccccc2CCCN2CCOCC2)n1
InChIInChI=1S/C16H21N3O2/c1-13-17-16(21-18-13)15-7-3-2-5-14(15)6-4-8-19-9-11-20-12-10-19/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyUXBRRMLHZSPGME-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds5

About 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine

4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine (PubChem CID 170870106) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine
PubChem CID170870106
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine
SMILESCc1noc(-c2ccccc2CCCN2CCOCC2)n1
InChIInChI=1S/C16H21N3O2/c1-13-17-16(21-18-13)15-7-3-2-5-14(15)6-4-8-19-9-11-20-12-10-19/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyUXBRRMLHZSPGME-UHFFFAOYSA-N
XLogP2.31
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869917
4-(3-isoquinolin-8-ylpropyl)morpholine
CID 170870005
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine (CID 170870106) is 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine is Cc1noc(-c2ccccc2CCCN2CCOCC2)n1.
What is the InChIKey of 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine?
The InChIKey is UXBRRMLHZSPGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-17-16(21-18-13)15-7-3-2-5-14(15)6-4-8-19-9-11-20-12-10-19/h2-3,5,7H,4,6,8-12H2,1H3.
What are the key properties of 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine?
4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine has a molecular weight of 287.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propyl]morpholine is sourced from PubChem (CID 170870106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).