2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H20ClN5O2 — CID 35321083

IUPAC2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)nc3)CC2)no1
InChIInChI=1S/C16H20ClN5O2/c1-12-8-15(20-24-12)19-16(23)11-22-6-4-21(5-7-22)10-13-2-3-14(17)18-9-13/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,20,23)
InChIKeyDVNRTXNESNTOIJ-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.79
Rot. Bonds5

About 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 35321083) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID35321083
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)nc3)CC2)no1
InChIInChI=1S/C16H20ClN5O2/c1-12-8-15(20-24-12)19-16(23)11-22-6-4-21(5-7-22)10-13-2-3-14(17)18-9-13/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,20,23)
InChIKeyDVNRTXNESNTOIJ-UHFFFAOYSA-N
XLogP1.79
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2571773
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
N-(5-bromo-2-pyridinyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 55469538
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60579845
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37047635
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 18144051
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627407
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 35321083) is 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(Cc3ccc(Cl)nc3)CC2)no1.
What is the InChIKey of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DVNRTXNESNTOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-12-8-15(20-24-12)19-16(23)11-22-6-4-21(5-7-22)10-13-2-3-14(17)18-9-13/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 35321083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).