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

C14H24N4O3 — CID 111489807

IUPAC2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCC(CO)N1CCN(CC(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C14H24N4O3/c1-3-12(10-19)18-6-4-17(5-7-18)9-14(20)15-13-8-11(2)21-16-13/h8,12,19H,3-7,9-10H2,1-2H3,(H,15,16,20)
InChIKeyHPYNKOHFHZZGKM-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.31
Rot. Bonds6

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

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 111489807) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID111489807
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCC(CO)N1CCN(CC(=O)Nc2cc(C)on2)CC1
InChIInChI=1S/C14H24N4O3/c1-3-12(10-19)18-6-4-17(5-7-18)9-14(20)15-13-8-11(2)21-16-13/h8,12,19H,3-7,9-10H2,1-2H3,(H,15,16,20)
InChIKeyHPYNKOHFHZZGKM-UHFFFAOYSA-N
XLogP0.31
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 134045166
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 111497018
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
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994
2-[4-(2-acetamidopropanoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24645151
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 111489807) is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCC(CO)N1CCN(CC(=O)Nc2cc(C)on2)CC1.
What is the InChIKey of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HPYNKOHFHZZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-12(10-19)18-6-4-17(5-7-18)9-14(20)15-13-8-11(2)21-16-13/h8,12,19H,3-7,9-10H2,1-2H3,(H,15,16,20).
What are the key properties of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 111489807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).