1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C12H13N5O2 — CID 67437503

IUPAC1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cocn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H13N5O2/c18-11(10-8-19-9-15-10)16-4-6-17(7-5-16)12-13-2-1-3-14-12/h1-3,8-9H,4-7H2
InChIKeyUEZYYULDOSFSLR-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.43
Rot. Bonds2

About 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 67437503) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID67437503
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cocn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H13N5O2/c18-11(10-8-19-9-15-10)16-4-6-17(7-5-16)12-13-2-1-3-14-12/h1-3,8-9H,4-7H2
InChIKeyUEZYYULDOSFSLR-UHFFFAOYSA-N
XLogP0.43
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 67437503) is 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cocn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UEZYYULDOSFSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-11(10-8-19-9-15-10)16-4-6-17(7-5-16)12-13-2-1-3-14-12/h1-3,8-9H,4-7H2.
What are the key properties of 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 259.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 67437503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).