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

C17H21N5O3 — CID 113114278

IUPACN-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(c3cc(C)on3)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-12-10-16(20-25-12)21-6-8-22(9-7-21)17(24)19-15-5-3-4-14(11-15)18-13(2)23/h3-5,10-11H,6-9H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyXOQXAEWFQAAEJO-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.30
Rot. Bonds3

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

N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113114278) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113114278
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(c3cc(C)on3)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-12-10-16(20-25-12)21-6-8-22(9-7-21)17(24)19-15-5-3-4-14(11-15)18-13(2)23/h3-5,10-11H,6-9H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyXOQXAEWFQAAEJO-UHFFFAOYSA-N
XLogP2.30
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114690
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113114488
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113365
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112335
N-(4-bromo-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114627
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
N-butan-2-yl-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113104409
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104147
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113114278) is N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCN(c3cc(C)on3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is XOQXAEWFQAAEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-10-16(20-25-12)21-6-8-22(9-7-21)17(24)19-15-5-3-4-14(11-15)18-13(2)23/h3-5,10-11H,6-9H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113114278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).