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

C16H18ClN3O2 — CID 95555865

IUPAC(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESClc1ccc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)cc1
InChIInChI=1S/C16H18ClN3O2/c17-13-5-3-11(4-6-13)14-9-20(7-8-21-14)10-15-18-19-16(22-15)12-1-2-12/h3-6,12,14H,1-2,7-10H2/t14-/m0/s1
InChIKeyWJTRURSSUGXNIJ-AWEZNQCLSA-N
MW319.79 g/mol
LogP3.17
Rot. Bonds4

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

(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (PubChem CID 95555865) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
PubChem CID95555865
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESClc1ccc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)cc1
InChIInChI=1S/C16H18ClN3O2/c17-13-5-3-11(4-6-13)14-9-20(7-8-21-14)10-15-18-19-16(22-15)12-1-2-12/h3-6,12,14H,1-2,7-10H2/t14-/m0/s1
InChIKeyWJTRURSSUGXNIJ-AWEZNQCLSA-N
XLogP3.17
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553263
(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553262
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572
(2R,6S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-methyl-6-phenylmorpholine
CID 95584291
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131902756
2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119930317
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 47520514
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71872308
N-[[(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 97028617
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (CID 95555865) is (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is Clc1ccc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The InChIKey is WJTRURSSUGXNIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-5-3-11(4-6-13)14-9-20(7-8-21-14)10-15-18-19-16(22-15)12-1-2-12/h3-6,12,14H,1-2,7-10H2/t14-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine has a molecular weight of 319.79 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 95555865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).