2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole

C23H25ClN2O3 — CID 42245325

IUPAC2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccccc1OC1CCN(Cc2nc(-c3ccccc3Cl)oc2C)CC1
InChIInChI=1S/C23H25ClN2O3/c1-16-20(25-23(28-16)18-7-3-4-8-19(18)24)15-26-13-11-17(12-14-26)29-22-10-6-5-9-21(22)27-2/h3-10,17H,11-15H2,1-2H3
InChIKeyUQGZIFIVJAUSSS-UHFFFAOYSA-N
MW412.92 g/mol
LogP5.36
Rot. Bonds6

About 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole

2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 42245325) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID42245325
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCOc1ccccc1OC1CCN(Cc2nc(-c3ccccc3Cl)oc2C)CC1
InChIInChI=1S/C23H25ClN2O3/c1-16-20(25-23(28-16)18-7-3-4-8-19(18)24)15-26-13-11-17(12-14-26)29-22-10-6-5-9-21(22)27-2/h3-10,17H,11-15H2,1-2H3
InChIKeyUQGZIFIVJAUSSS-UHFFFAOYSA-N
XLogP5.36
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25460901
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95872425
2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745
methyl 4-[4-[[4-(2-fluorophenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42381184
1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 56871770
2-(2-methoxyphenyl)-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53053460
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
2-(2-chlorophenyl)-4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 70759381

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 42245325) is 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is COc1ccccc1OC1CCN(Cc2nc(-c3ccccc3Cl)oc2C)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is UQGZIFIVJAUSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-16-20(25-23(28-16)18-7-3-4-8-19(18)24)15-26-13-11-17(12-14-26)29-22-10-6-5-9-21(22)27-2/h3-10,17H,11-15H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 412.92 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 42245325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).