2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone

C25H32ClN3O5 — CID 110080408

IUPAC2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCCc1noc(C)c1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C25H32ClN3O5/c1-3-21-23(18(2)34-27-21)24(31)29-10-8-25(9-11-29,16-22(30)28-12-14-32-15-13-28)17-33-20-6-4-19(26)5-7-20/h4-7H,3,8-17H2,1-2H3
InChIKeyLCHHMBBVXHKDHT-UHFFFAOYSA-N
MW490.00 g/mol
LogP3.75
Rot. Bonds7

About 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 110080408) has the molecular formula C25H32ClN3O5 and a molecular weight of 490.00 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID110080408
Molecular FormulaC25H32ClN3O5
Molecular Weight490.00 g/mol
Exact Mass489.20
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCCc1noc(C)c1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C25H32ClN3O5/c1-3-21-23(18(2)34-27-21)24(31)29-10-8-25(9-11-29,16-22(30)28-12-14-32-15-13-28)17-33-20-6-4-19(26)5-7-20/h4-7H,3,8-17H2,1-2H3
InChIKeyLCHHMBBVXHKDHT-UHFFFAOYSA-N
XLogP3.75
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124995083
1-[4-[(4-chlorophenoxy)methyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110080420
2-[4-[(4-chlorophenoxy)methyl]-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080381
2-[3-[(3-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110078070
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155990971
2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-(phenoxymethyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 110081613
2-[4-[(4-chlorophenoxy)methyl]-1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080455
2-[(3S)-1-[2-(4-chlorophenoxy)acetyl]-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124990225
2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3-(phenoxymethyl)piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110081701
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 110080728
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125001323
2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 110080035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 110080408) is 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone is CCc1noc(C)c1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is LCHHMBBVXHKDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O5/c1-3-21-23(18(2)34-27-21)24(31)29-10-8-25(9-11-29,16-22(30)28-12-14-32-15-13-28)17-33-20-6-4-19(26)5-7-20/h4-7H,3,8-17H2,1-2H3.
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 490.00 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenoxy)methyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110080408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).