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

C17H19N5O2 — CID 11823548

IUPAC(1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3noc4ccccc34)CC2)n1
InChIInChI=1S/C17H19N5O2/c1-12(23)16-18-7-6-15(19-16)21-8-10-22(11-9-21)17-13-4-2-3-5-14(13)24-20-17/h2-7,12,23H,8-11H2,1H3/t12-/m1/s1
InChIKeyCDOGNUKJWSSTBV-GFCCVEGCSA-N
MW325.37 g/mol
LogP2.00
Rot. Bonds3

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

(1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11823548) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11823548
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3noc4ccccc34)CC2)n1
InChIInChI=1S/C17H19N5O2/c1-12(23)16-18-7-6-15(19-16)21-8-10-22(11-9-21)17-13-4-2-3-5-14(13)24-20-17/h2-7,12,23H,8-11H2,1H3/t12-/m1/s1
InChIKeyCDOGNUKJWSSTBV-GFCCVEGCSA-N
XLogP2.00
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11823548) is (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3noc4ccccc34)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is CDOGNUKJWSSTBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(23)16-18-7-6-15(19-16)21-8-10-22(11-9-21)17-13-4-2-3-5-14(13)24-20-17/h2-7,12,23H,8-11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 325.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11823548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).