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

C16H21N5O3 — CID 146109682

IUPAC2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cncc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C16H21N5O3/c1-12-7-15(19-24-12)18-16(22)11-20-3-5-21(6-4-20)13-8-14(23-2)10-17-9-13/h7-10H,3-6,11H2,1-2H3,(H,18,19,22)
InChIKeyJFMJXJCAGINUJN-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.15
Rot. Bonds5

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

2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 146109682) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID146109682
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1cncc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C16H21N5O3/c1-12-7-15(19-24-12)18-16(22)11-20-3-5-21(6-4-20)13-8-14(23-2)10-17-9-13/h7-10H,3-6,11H2,1-2H3,(H,18,19,22)
InChIKeyJFMJXJCAGINUJN-UHFFFAOYSA-N
XLogP1.15
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18567001
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 131960468
2-[4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55476132
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
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
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 35321083
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 38126163
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-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 146109682) is 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1cncc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JFMJXJCAGINUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-12-7-15(19-24-12)18-16(22)11-20-3-5-21(6-4-20)13-8-14(23-2)10-17-9-13/h7-10H,3-6,11H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 146109682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).