2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

C17H20ClN3O2 — CID 47054235

IUPAC2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC(c1nc(C2CC2)no1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H20ClN3O2/c1-11(17-19-16(20-23-17)13-2-3-13)21-8-9-22-15(10-21)12-4-6-14(18)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3
InChIKeyOTTKQDGJAIUGEY-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine

2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (PubChem CID 47054235) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
PubChem CID47054235
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
SMILESCC(c1nc(C2CC2)no1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H20ClN3O2/c1-11(17-19-16(20-23-17)13-2-3-13)21-8-9-22-15(10-21)12-4-6-14(18)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3
InChIKeyOTTKQDGJAIUGEY-UHFFFAOYSA-N
XLogP3.73
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47054230
(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 100568597
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 36875201
(2R)-2-(4-fluorophenyl)-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 51671941
(2R)-2-phenyl-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 94806550
(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283780
(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352438
(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352439
N-[[(2S)-4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 97021534
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
3-cyclopropyl-5-[(1R)-1-[4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95155264
2-[4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]phenol
CID 47053061

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine (CID 47054235) is 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is CC(c1nc(C2CC2)no1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
The InChIKey is OTTKQDGJAIUGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(17-19-16(20-23-17)13-2-3-13)21-8-9-22-15(10-21)12-4-6-14(18)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine?
2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine has a molecular weight of 333.82 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 47054235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).