N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide

C15H20N6O2 — CID 172819575

IUPACN-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cnco1
InChIInChI=1S/C15H20N6O2/c1-12(19-14(22)13-9-16-11-23-13)10-20-5-7-21(8-6-20)15-17-3-2-4-18-15/h2-4,9,11-12H,5-8,10H2,1H3,(H,19,22)
InChIKeyUARFRTRRVZNDBP-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.41
Rot. Bonds5

About N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide

N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 172819575) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
PubChem CID172819575
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC NameN-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cnco1
InChIInChI=1S/C15H20N6O2/c1-12(19-14(22)13-9-16-11-23-13)10-20-5-7-21(8-6-20)15-17-3-2-4-18-15/h2-4,9,11-12H,5-8,10H2,1H3,(H,19,22)
InChIKeyUARFRTRRVZNDBP-UHFFFAOYSA-N
XLogP0.41
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (CID 172819575) is N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is CC(CN1CCN(c2ncccn2)CC1)NC(=O)c1cnco1.
What is the InChIKey of N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is UARFRTRRVZNDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12(19-14(22)13-9-16-11-23-13)10-20-5-7-21(8-6-20)15-17-3-2-4-18-15/h2-4,9,11-12H,5-8,10H2,1H3,(H,19,22).
What are the key properties of N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 172819575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).