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

C18H30N4O2 — CID 87015164

IUPACN-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cc(CN2CCN(CC(=O)N(CC(C)C)C3CC3)CC2)on1
InChIInChI=1S/C18H30N4O2/c1-14(2)11-22(16-4-5-16)18(23)13-21-8-6-20(7-9-21)12-17-10-15(3)19-24-17/h10,14,16H,4-9,11-13H2,1-3H3
InChIKeyNNFQLCAZUYSHRE-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.75
Rot. Bonds7

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

N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 87015164) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID87015164
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cc(CN2CCN(CC(=O)N(CC(C)C)C3CC3)CC2)on1
InChIInChI=1S/C18H30N4O2/c1-14(2)11-22(16-4-5-16)18(23)13-21-8-6-20(7-9-21)12-17-10-15(3)19-24-17/h10,14,16H,4-9,11-13H2,1-3H3
InChIKeyNNFQLCAZUYSHRE-UHFFFAOYSA-N
XLogP1.75
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 87015164) is N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is Cc1cc(CN2CCN(CC(=O)N(CC(C)C)C3CC3)CC2)on1.
What is the InChIKey of N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is NNFQLCAZUYSHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)11-22(16-4-5-16)18(23)13-21-8-6-20(7-9-21)12-17-10-15(3)19-24-17/h10,14,16H,4-9,11-13H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide?
N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 87015164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).