(1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C17H20N6O2 — CID 11013235

IUPAC(1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc4ccncc4o3)[C@@H](C)C2)n1
InChIInChI=1S/C17H20N6O2/c1-11-10-22(15-4-6-19-16(21-15)12(2)24)7-8-23(11)17-20-13-3-5-18-9-14(13)25-17/h3-6,9,11-12,24H,7-8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyVFACSSVZZSYUNQ-NWDGAFQWSA-N
MW340.39 g/mol
LogP1.78
Rot. Bonds3

About (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11013235) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11013235
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nc4ccncc4o3)[C@@H](C)C2)n1
InChIInChI=1S/C17H20N6O2/c1-11-10-22(15-4-6-19-16(21-15)12(2)24)7-8-23(11)17-20-13-3-5-18-9-14(13)25-17/h3-6,9,11-12,24H,7-8,10H2,1-2H3/t11-,12+/m0/s1
InChIKeyVFACSSVZZSYUNQ-NWDGAFQWSA-N
XLogP1.78
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11013235) is (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3nc4ccncc4o3)[C@@H](C)C2)n1.
What is the InChIKey of (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is VFACSSVZZSYUNQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-10-22(15-4-6-19-16(21-15)12(2)24)7-8-23(11)17-20-13-3-5-18-9-14(13)25-17/h3-6,9,11-12,24H,7-8,10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 340.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3S)-3-methyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11013235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).