2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole

C22H31N3O2 — CID 95204232

IUPAC2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2CC(N3CCCC[C@@H]3C)C2)c(C)o1
InChIInChI=1S/C22H31N3O2/c1-4-26-21-11-6-5-10-19(21)22-23-20(17(3)27-22)15-24-13-18(14-24)25-12-8-7-9-16(25)2/h5-6,10-11,16,18H,4,7-9,12-15H2,1-3H3/t16-/m0/s1
InChIKeyJVDZIMWWLJZSNV-INIZCTEOSA-N
MW369.51 g/mol
LogP4.11
Rot. Bonds6

About 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole

2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95204232) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
PubChem CID95204232
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
SMILESCCOc1ccccc1-c1nc(CN2CC(N3CCCC[C@@H]3C)C2)c(C)o1
InChIInChI=1S/C22H31N3O2/c1-4-26-21-11-6-5-10-19(21)22-23-20(17(3)27-22)15-24-13-18(14-24)25-12-8-7-9-16(25)2/h5-6,10-11,16,18H,4,7-9,12-15H2,1-3H3/t16-/m0/s1
InChIKeyJVDZIMWWLJZSNV-INIZCTEOSA-N
XLogP4.11
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56743559
[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-pyridin-3-ylmethanone
CID 45243561
(S)-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25482206
2-(2-ethoxyphenyl)-4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45230544
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxan-4-amine
CID 26328628
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56672883
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate
CID 56743702
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
CID 42199005

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole (CID 95204232) is 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole is CCOc1ccccc1-c1nc(CN2CC(N3CCCC[C@@H]3C)C2)c(C)o1.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is JVDZIMWWLJZSNV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-4-26-21-11-6-5-10-19(21)22-23-20(17(3)27-22)15-24-13-18(14-24)25-12-8-7-9-16(25)2/h5-6,10-11,16,18H,4,7-9,12-15H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 369.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95204232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).