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

C17H21ClN2O3 — CID 95394340

IUPAC2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@@H](CCO)C1
InChIInChI=1S/C17H21ClN2O3/c1-12-16(11-20-6-8-22-15(10-20)5-7-21)19-17(23-12)13-3-2-4-14(18)9-13/h2-4,9,15,21H,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyCSECPNLHUJZWDF-HNNXBMFYSA-N
MW336.82 g/mol
LogP2.89
Rot. Bonds5

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

2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol (PubChem CID 95394340) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
PubChem CID95394340
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@@H](CCO)C1
InChIInChI=1S/C17H21ClN2O3/c1-12-16(11-20-6-8-22-15(10-20)5-7-21)19-17(23-12)13-3-2-4-14(18)9-13/h2-4,9,15,21H,5-8,10-11H2,1H3/t15-/m0/s1
InChIKeyCSECPNLHUJZWDF-HNNXBMFYSA-N
XLogP2.89
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2R)-4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol
CID 95202746
2-(3-chlorophenyl)-5-methyl-4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95216234
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
1-[[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 56760356
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
CID 30851824
4-[[4-(3-chlorophenoxy)piperidin-1-yl]methyl]-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
CID 42415863
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
2-(3-chlorophenyl)-4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084974
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 56861269
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 20859995

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol (CID 95394340) is 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCO[C@@H](CCO)C1.
What is the InChIKey of 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol?
The InChIKey is CSECPNLHUJZWDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-12-16(11-20-6-8-22-15(10-20)5-7-21)19-17(23-12)13-3-2-4-14(18)9-13/h2-4,9,15,21H,5-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol?
2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol has a molecular weight of 336.82 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]ethanol is sourced from PubChem (CID 95394340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).