N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C13H22N4O2 — CID 113104409

IUPACN-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cc(C)on2)CC1
InChIInChI=1S/C13H22N4O2/c1-4-10(2)14-13(18)17-7-5-16(6-8-17)12-9-11(3)19-15-12/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyUJQSGPKEBUACEH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.61
Rot. Bonds3

About N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113104409) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113104409
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cc(C)on2)CC1
InChIInChI=1S/C13H22N4O2/c1-4-10(2)14-13(18)17-7-5-16(6-8-17)12-9-11(3)19-15-12/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyUJQSGPKEBUACEH-UHFFFAOYSA-N
XLogP1.61
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104147
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112335
N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114278
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113114488
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
N-[2-(cyclohexen-1-yl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113104896
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
N-(4-bromo-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114627
N-[(2-methoxyphenyl)methyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113108129
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113081452
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114690
N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192481

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113104409) is N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(c2cc(C)on2)CC1.
What is the InChIKey of N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is UJQSGPKEBUACEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-10(2)14-13(18)17-7-5-16(6-8-17)12-9-11(3)19-15-12/h9-10H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113104409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).