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

C23H30ClN3O3 — CID 170354834

IUPAC5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(C2CCC(c3ncc(C)o3)CC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C23H30ClN3O3/c1-15-12-26-23(30-15)17-5-9-19(10-6-17)27-13-21(22(28)25-2)29-14-20(27)11-16-3-7-18(24)8-4-16/h3-4,7-8,12,17,19-21H,5-6,9-11,13-14H2,1-2H3,(H,25,28)
InChIKeyGCRIWMJGKHFAOP-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.72
Rot. Bonds5

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

5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide (PubChem CID 170354834) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide
PubChem CID170354834
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(C2CCC(c3ncc(C)o3)CC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C23H30ClN3O3/c1-15-12-26-23(30-15)17-5-9-19(10-6-17)27-13-21(22(28)25-2)29-14-20(27)11-16-3-7-18(24)8-4-16/h3-4,7-8,12,17,19-21H,5-6,9-11,13-14H2,1-2H3,(H,25,28)
InChIKeyGCRIWMJGKHFAOP-UHFFFAOYSA-N
XLogP3.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine
CID 170358023
(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-methylmorpholine-2-carboxamide
CID 169321127
5-[(4-chlorophenyl)methyl]-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]-2-(methylsulfinylmethyl)morpholine
CID 170358829
(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
tert-butyl 4-[5-[(4-chlorophenyl)methyl]-2-(methylcarbamoyl)morpholin-4-yl]piperidine-1-carboxylate
CID 126667914
methyl 5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate
CID 170359132
methyl (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1-ethyl-5-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylate
CID 169321114
2-[4-[2-[(4-chlorophenyl)methyl]-4-(2-ethoxyethyl)piperazin-1-yl]cyclohexyl]-5-methyl-1,3-oxazole
CID 170359044
(2R,5S)-5-[(4-chlorophenyl)methyl]-N,N-dimethyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]morpholine-2-carboxamide
CID 169321095
(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(1,5-dimethylpyrazol-3-yl)cyclohexyl]-N-ethylmorpholine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 170308675
(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]morpholine-2-carboxylic acid
CID 169320981
(2R,5S)-5-[(4-chlorophenyl)methyl]-N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexyl]morpholine-2-carboxamide;hydrochloride
CID 169321123

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide (CID 170354834) is 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide is CNC(=O)C1CN(C2CCC(c3ncc(C)o3)CC2)C(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide?
The InChIKey is GCRIWMJGKHFAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-15-12-26-23(30-15)17-5-9-19(10-6-17)27-13-21(22(28)25-2)29-14-20(27)11-16-3-7-18(24)8-4-16/h3-4,7-8,12,17,19-21H,5-6,9-11,13-14H2,1-2H3,(H,25,28).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide?
5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide has a molecular weight of 431.96 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-methyl-4-[4-(5-methyl-1,3-oxazol-2-yl)cyclohexyl]morpholine-2-carboxamide is sourced from PubChem (CID 170354834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).