N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide

C17H24N6O2 — CID 56722172

IUPACN-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCN(C)C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-3-7-21(2)16(24)14-13-25-15(20-14)12-22-8-10-23(11-9-22)17-18-5-4-6-19-17/h4-6,13H,3,7-12H2,1-2H3
InChIKeyJWEOORATQZYCJC-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.27
Rot. Bonds6

About N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide

N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56722172) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56722172
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCCN(C)C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H24N6O2/c1-3-7-21(2)16(24)14-13-25-15(20-14)12-22-8-10-23(11-9-22)17-18-5-4-6-19-17/h4-6,13H,3,7-12H2,1-2H3
InChIKeyJWEOORATQZYCJC-UHFFFAOYSA-N
XLogP1.27
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide (CID 56722172) is N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide is CCCN(C)C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JWEOORATQZYCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-7-21(2)16(24)14-13-25-15(20-14)12-22-8-10-23(11-9-22)17-18-5-4-6-19-17/h4-6,13H,3,7-12H2,1-2H3.
What are the key properties of N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide?
N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56722172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).