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

C17H29N5O3 — CID 86916000

IUPAC2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)NC(=O)NCC(C)C)CC2)on1
InChIInChI=1S/C17H29N5O3/c1-12(2)10-18-17(24)19-16(23)14(4)22-7-5-21(6-8-22)11-15-9-13(3)20-25-15/h9,12,14H,5-8,10-11H2,1-4H3,(H2,18,19,23,24)
InChIKeyHQASTVLYOIVFOV-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.97
Rot. Bonds6

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

2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 86916000) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID86916000
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCc1cc(CN2CCN(C(C)C(=O)NC(=O)NCC(C)C)CC2)on1
InChIInChI=1S/C17H29N5O3/c1-12(2)10-18-17(24)19-16(23)14(4)22-7-5-21(6-8-22)11-15-9-13(3)20-25-15/h9,12,14H,5-8,10-11H2,1-4H3,(H2,18,19,23,24)
InChIKeyHQASTVLYOIVFOV-UHFFFAOYSA-N
XLogP0.97
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamoyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 46653776
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
N-cyclopentyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 127883228
N-(4-methylcyclohexyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 86919305
(2S)-N-(ethylcarbamoyl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 30152167
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46405915
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46699792
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-quinolin-5-ylpropanamide
CID 46527637
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
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
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (CID 86916000) is 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is Cc1cc(CN2CCN(C(C)C(=O)NC(=O)NCC(C)C)CC2)on1.
What is the InChIKey of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is HQASTVLYOIVFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-12(2)10-18-17(24)19-16(23)14(4)22-7-5-21(6-8-22)11-15-9-13(3)20-25-15/h9,12,14H,5-8,10-11H2,1-4H3,(H2,18,19,23,24).
What are the key properties of 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 86916000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).