2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C14H18BrN5O — CID 47524371

IUPAC2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ncc(Br)cn3)CC2)oc1C
InChIInChI=1S/C14H18BrN5O/c1-10-11(2)21-13(18-10)9-19-3-5-20(6-4-19)14-16-7-12(15)8-17-14/h7-8H,3-6,9H2,1-2H3
InChIKeyLUWVAKFZPUCPKK-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.17
Rot. Bonds3

About 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 47524371) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID47524371
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCN(c3ncc(Br)cn3)CC2)oc1C
InChIInChI=1S/C14H18BrN5O/c1-10-11(2)21-13(18-10)9-19-3-5-20(6-4-19)14-16-7-12(15)8-17-14/h7-8H,3-6,9H2,1-2H3
InChIKeyLUWVAKFZPUCPKK-UHFFFAOYSA-N
XLogP2.17
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 47524371) is 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CN2CCN(c3ncc(Br)cn3)CC2)oc1C.
What is the InChIKey of 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is LUWVAKFZPUCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-10-11(2)21-13(18-10)9-19-3-5-20(6-4-19)14-16-7-12(15)8-17-14/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 352.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 47524371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).