[2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone

C25H27Cl2N3O2 — CID 42833706

IUPAC[2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCC(c1ccccc1)N(Cc1nc(C(=O)N2CCCCC2)co1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H27Cl2N3O2/c1-18(19-8-4-2-5-9-19)30(15-20-10-11-21(26)14-22(20)27)16-24-28-23(17-32-24)25(31)29-12-6-3-7-13-29/h2,4-5,8-11,14,17-18H,3,6-7,12-13,15-16H2,1H3
InChIKeyGSXOMUVNZDPQBC-UHFFFAOYSA-N
MW472.42 g/mol
LogP6.37
Rot. Bonds7

About [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone

[2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 42833706) has the molecular formula C25H27Cl2N3O2 and a molecular weight of 472.42 g/mol. Its IUPAC name is [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
PubChem CID42833706
Molecular FormulaC25H27Cl2N3O2
Molecular Weight472.42 g/mol
Exact Mass471.15
IUPAC Name[2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
SMILESCC(c1ccccc1)N(Cc1nc(C(=O)N2CCCCC2)co1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H27Cl2N3O2/c1-18(19-8-4-2-5-9-19)30(15-20-10-11-21(26)14-22(20)27)16-24-28-23(17-32-24)25(31)29-12-6-3-7-13-29/h2,4-5,8-11,14,17-18H,3,6-7,12-13,15-16H2,1H3
InChIKeyGSXOMUVNZDPQBC-UHFFFAOYSA-N
XLogP6.37
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2,4-difluorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 46001147
N-[(2S)-butan-2-yl]-2-[[(2,4-dichlorophenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157044
[2-[[(3-chlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 42831310
2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 93157032
2-[[(2,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 93157040
[2-[[(2,5-dimethylphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 93157084
ethyl 1-[2-[[(2,4-difluorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 46001149
2-[[(2,4-dichlorophenyl)methyl-propan-2-ylamino]methyl]-N-[(1R)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158045
[2-[[(2,4-difluorophenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42832021
ethyl 1-[2-[[(3-phenoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 46000101
[2-[[(2,5-dimethylphenyl)methyl-(3-methylbutan-2-yl)amino]methyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42832010
ethyl 1-[2-[[(2,3-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 42833697

Frequently Asked Questions

What is the IUPAC name of [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone (CID 42833706) is [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone is CC(c1ccccc1)N(Cc1nc(C(=O)N2CCCCC2)co1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is GSXOMUVNZDPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N3O2/c1-18(19-8-4-2-5-9-19)30(15-20-10-11-21(26)14-22(20)27)16-24-28-23(17-32-24)25(31)29-12-6-3-7-13-29/h2,4-5,8-11,14,17-18H,3,6-7,12-13,15-16H2,1H3.
What are the key properties of [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone?
[2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 472.42 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42833706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).