[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

C16H17N5O2 — CID 10979846

IUPAC[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3noc4ccccc34)CC2)n1
InChIInChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)23-19-16/h1-6,22H,7-11H2
InChIKeyUIMBPSRKOZHAIK-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.44
Rot. Bonds3

About [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (PubChem CID 10979846) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
PubChem CID10979846
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3noc4ccccc34)CC2)n1
InChIInChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)23-19-16/h1-6,22H,7-11H2
InChIKeyUIMBPSRKOZHAIK-UHFFFAOYSA-N
XLogP1.44
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (CID 10979846) is [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3noc4ccccc34)CC2)n1.
What is the InChIKey of [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is UIMBPSRKOZHAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-11-14-17-6-5-15(18-14)20-7-9-21(10-8-20)16-12-3-1-2-4-13(12)23-19-16/h1-6,22H,7-11H2.
What are the key properties of [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 311.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 10979846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).