1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol

C17H22N4O3 — CID 46960986

IUPAC1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol
SMILESCc1cc(-c2cnc(N3CCCC(O)C3)nc2[C@H]2CCCO2)on1
InChIInChI=1S/C17H22N4O3/c1-11-8-15(24-20-11)13-9-18-17(21-6-2-4-12(22)10-21)19-16(13)14-5-3-7-23-14/h8-9,12,14,22H,2-7,10H2,1H3/t12?,14-/m1/s1
InChIKeyZMTJOFJMUYDZFZ-TYZXPVIJSA-N
MW330.39 g/mol
LogP2.25
Rot. Bonds3

About 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol

1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol (PubChem CID 46960986) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol
PubChem CID46960986
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol
SMILESCc1cc(-c2cnc(N3CCCC(O)C3)nc2[C@H]2CCCO2)on1
InChIInChI=1S/C17H22N4O3/c1-11-8-15(24-20-11)13-9-18-17(21-6-2-4-12(22)10-21)19-16(13)14-5-3-7-23-14/h8-9,12,14,22H,2-7,10H2,1H3/t12?,14-/m1/s1
InChIKeyZMTJOFJMUYDZFZ-TYZXPVIJSA-N
XLogP2.25
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol (CID 46960986) is 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol is Cc1cc(-c2cnc(N3CCCC(O)C3)nc2[C@H]2CCCO2)on1.
What is the InChIKey of 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is ZMTJOFJMUYDZFZ-TYZXPVIJSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-8-15(24-20-11)13-9-18-17(21-6-2-4-12(22)10-21)19-16(13)14-5-3-7-23-14/h8-9,12,14,22H,2-7,10H2,1H3/t12?,14-/m1/s1.
What are the key properties of 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol?
1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 330.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 46960986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).