N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

C16H21ClN4O2S — CID 87015166

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)NCc3ccc(Cl)s3)CC2)on1
InChIInChI=1S/C16H21ClN4O2S/c1-12-8-13(23-19-12)10-20-4-6-21(7-5-20)11-16(22)18-9-14-2-3-15(17)24-14/h2-3,8H,4-7,9-11H2,1H3,(H,18,22)
InChIKeySWIICDBXRKILBV-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.13
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 87015166) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID87015166
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)NCc3ccc(Cl)s3)CC2)on1
InChIInChI=1S/C16H21ClN4O2S/c1-12-8-13(23-19-12)10-20-4-6-21(7-5-20)11-16(22)18-9-14-2-3-15(17)24-14/h2-3,8H,4-7,9-11H2,1H3,(H,18,22)
InChIKeySWIICDBXRKILBV-UHFFFAOYSA-N
XLogP2.13
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722178
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
N-(3,4-dimethylphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147759
N-(3-iodophenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30148674
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 39722478
N-tert-butyl-2-[4-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetyl]piperazin-1-yl]acetamide
CID 30150936
N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9262222
N-(2-ethoxyphenyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30147921

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 87015166) is N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is Cc1cc(CN2CCN(CC(=O)NCc3ccc(Cl)s3)CC2)on1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is SWIICDBXRKILBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-12-8-13(23-19-12)10-20-4-6-21(7-5-20)11-16(22)18-9-14-2-3-15(17)24-14/h2-3,8H,4-7,9-11H2,1H3,(H,18,22).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 368.89 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 87015166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).