N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

C16H24N6O2 — CID 71892864

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC(C)Cn3ccnc3)CC2)on1
InChIInChI=1S/C16H24N6O2/c1-13-9-15(24-19-13)11-20-5-7-22(8-6-20)16(23)18-14(2)10-21-4-3-17-12-21/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,18,23)
InChIKeyXNYVNARFMFIMHG-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.10
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 71892864) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID71892864
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC(C)Cn3ccnc3)CC2)on1
InChIInChI=1S/C16H24N6O2/c1-13-9-15(24-19-13)11-20-5-7-22(8-6-20)16(23)18-14(2)10-21-4-3-17-12-21/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,18,23)
InChIKeyXNYVNARFMFIMHG-UHFFFAOYSA-N
XLogP1.10
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide (CID 71892864) is N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC(C)Cn3ccnc3)CC2)on1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is XNYVNARFMFIMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-13-9-15(24-19-13)11-20-5-7-22(8-6-20)16(23)18-14(2)10-21-4-3-17-12-21/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,18,23).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 71892864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).