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

C16H21N3O2 — CID 170870126

IUPAC4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine
SMILESCc1nnc(-c2ccc(CCCN3CCOCC3)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-13-17-18-16(21-13)15-6-4-14(5-7-15)3-2-8-19-9-11-20-12-10-19/h4-7H,2-3,8-12H2,1H3
InChIKeyROUROHAFRKCFAR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.31
Rot. Bonds5

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

4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine (PubChem CID 170870126) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine
PubChem CID170870126
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine
SMILESCc1nnc(-c2ccc(CCCN3CCOCC3)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-13-17-18-16(21-13)15-6-4-14(5-7-15)3-2-8-19-9-11-20-12-10-19/h4-7H,2-3,8-12H2,1H3
InChIKeyROUROHAFRKCFAR-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-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
4-[3-[4-(1,3-benzodioxol-5-yl)phenyl]propyl]morpholine
CID 170870679
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
4-[3-(2-methylquinolin-6-yl)propyl]morpholine
CID 170870051
6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole
CID 72945974
4-[3-(5-methyl-3-pyridinyl)propyl]morpholine
CID 70853506

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine (CID 170870126) is 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine is Cc1nnc(-c2ccc(CCCN3CCOCC3)cc2)o1.
What is the InChIKey of 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine?
The InChIKey is ROUROHAFRKCFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-17-18-16(21-13)15-6-4-14(5-7-15)3-2-8-19-9-11-20-12-10-19/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine?
4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-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-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine is sourced from PubChem (CID 170870126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).