(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol

C16H20N6O2 — CID 124873990

IUPAC(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCc1noc2ncnc(N3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)c12
InChIInChI=1S/C16H20N6O2/c1-10-14-15(17-9-18-16(14)24-20-10)22-5-3-4-12(22)6-13(23)11-7-19-21(2)8-11/h7-9,12-13,23H,3-6H2,1-2H3/t12-,13+/m0/s1
InChIKeyXOHGKUMVZLAWLU-QWHCGFSZSA-N
MW328.38 g/mol
LogP1.75
Rot. Bonds4

About (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol

(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 124873990) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID124873990
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCc1noc2ncnc(N3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)c12
InChIInChI=1S/C16H20N6O2/c1-10-14-15(17-9-18-16(14)24-20-10)22-5-3-4-12(22)6-13(23)11-7-19-21(2)8-11/h7-9,12-13,23H,3-6H2,1-2H3/t12-,13+/m0/s1
InChIKeyXOHGKUMVZLAWLU-QWHCGFSZSA-N
XLogP1.75
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 126789303
3-methyl-4-[(3S)-3-(2-methylpropyl)morpholin-4-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 164637085
(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124735348
(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
CID 124734701
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 120855183
(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124728531
2-[1-(6-amino-5-chloropyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 122139376
(1R)-2-[(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 99780536
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol (CID 124873990) is (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol is Cc1noc2ncnc(N3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)c12.
What is the InChIKey of (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is XOHGKUMVZLAWLU-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10-14-15(17-9-18-16(14)24-20-10)22-5-3-4-12(22)6-13(23)11-7-19-21(2)8-11/h7-9,12-13,23H,3-6H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 328.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 124873990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).