2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H24ClN5O6 — CID 16601253

IUPAC2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C20H24ClN5O6/c1-12-7-17(24-32-12)23-18(28)10-25-3-5-26(6-4-25)20(29)13-8-14(21)19(15(9-13)30-2)31-11-16(22)27/h7-9H,3-6,10-11H2,1-2H3,(H2,22,27)(H,23,24,28)
InChIKeyKULDKTLNZDRSMD-UHFFFAOYSA-N
MW465.89 g/mol
LogP0.91
Rot. Bonds8

About 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 16601253) has the molecular formula C20H24ClN5O6 and a molecular weight of 465.89 g/mol. Its IUPAC name is 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID16601253
Molecular FormulaC20H24ClN5O6
Molecular Weight465.89 g/mol
Exact Mass465.14
IUPAC Name2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C20H24ClN5O6/c1-12-7-17(24-32-12)23-18(28)10-25-3-5-26(6-4-25)20(29)13-8-14(21)19(15(9-13)30-2)31-11-16(22)27/h7-9H,3-6,10-11H2,1-2H3,(H2,22,27)(H,23,24,28)
InChIKeyKULDKTLNZDRSMD-UHFFFAOYSA-N
XLogP0.91
TPSA140.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(6-amino-5-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 126767599
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
2-[2-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]-6-methoxyphenoxy]acetamide
CID 34822497
2-[4-(4-butoxybenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781578
1-(3,5-dichloro-4-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485465
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 39963862
2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572927
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
CID 119247780

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 16601253) is 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cc(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KULDKTLNZDRSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O6/c1-12-7-17(24-32-12)23-18(28)10-25-3-5-26(6-4-25)20(29)13-8-14(21)19(15(9-13)30-2)31-11-16(22)27/h7-9H,3-6,10-11H2,1-2H3,(H2,22,27)(H,23,24,28).
What are the key properties of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 465.89 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16601253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).