(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine

C22H29ClN2O2 — CID 170358023

IUPAC(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine
SMILESCc1cnc(C2CCC(N3CC(C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C22H29ClN2O2/c1-15-12-24-22(27-15)18-5-9-20(10-6-18)25-13-16(2)26-14-21(25)11-17-3-7-19(23)8-4-17/h3-4,7-8,12,16,18,20-21H,5-6,9-11,13-14H2,1-2H3/t16?,18?,20?,21-/m0/s1
InChIKeyNUJLVOCHTONALZ-BZEJHLHBSA-N
MW388.94 g/mol
LogP4.99
Rot. Bonds4

About (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine

(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine (PubChem CID 170358023) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine.

Molecular Properties

Compound Name(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine
PubChem CID170358023
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine
SMILESCc1cnc(C2CCC(N3CC(C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C22H29ClN2O2/c1-15-12-24-22(27-15)18-5-9-20(10-6-18)25-13-16(2)26-14-21(25)11-17-3-7-19(23)8-4-17/h3-4,7-8,12,16,18,20-21H,5-6,9-11,13-14H2,1-2H3/t16?,18?,20?,21-/m0/s1
InChIKeyNUJLVOCHTONALZ-BZEJHLHBSA-N
XLogP4.99
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methyl]-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]-2-(methylsulfinylmethyl)morpholine
CID 170358829
5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide
CID 170354834
(7S,9aR)-7-[(4-chlorophenyl)methyl]-8-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 169321023
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
CID 170197390
2-[4-[2-[(4-chlorophenyl)methyl]-4-(2-ethoxyethyl)piperazin-1-yl]cyclohexyl]-5-methyl-1,3-oxazole
CID 170359044
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 168679082
(2S,5S)-4-[1-(2-bromo-4-pyridinyl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-2-methylmorpholine
CID 168679103
5-[4-[(2R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 157057863
5-[4-[(2R,5R)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159429680
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-[1-(4-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-2-methylmorpholine
CID 168679118
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 168678970
2-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-4-carboxylic acid
CID 168679072

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine?
The IUPAC name of (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine (CID 170358023) is (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine.
What is the SMILES notation for (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine?
The canonical SMILES for (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine is Cc1cnc(C2CCC(N3CC(C)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine?
The InChIKey is NUJLVOCHTONALZ-BZEJHLHBSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-15-12-24-22(27-15)18-5-9-20(10-6-18)25-13-16(2)26-14-21(25)11-17-3-7-19(23)8-4-17/h3-4,7-8,12,16,18,20-21H,5-6,9-11,13-14H2,1-2H3/t16?,18?,20?,21-/m0/s1.
What are the key properties of (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine?
(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine has a molecular weight of 388.94 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine is sourced from PubChem (CID 170358023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).