(S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol

C16H18N4O2S — CID 97187333

IUPAC(S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCc1noc2ncnc(N3CCC([C@H](O)c4cccs4)CC3)c12
InChIInChI=1S/C16H18N4O2S/c1-10-13-15(17-9-18-16(13)22-19-10)20-6-4-11(5-7-20)14(21)12-3-2-8-23-12/h2-3,8-9,11,14,21H,4-7H2,1H3/t14-/m0/s1
InChIKeyVCGDAFPWDMTNQS-AWEZNQCLSA-N
MW330.41 g/mol
LogP2.94
Rot. Bonds3

About (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol

(S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 97187333) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID97187333
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCc1noc2ncnc(N3CCC([C@H](O)c4cccs4)CC3)c12
InChIInChI=1S/C16H18N4O2S/c1-10-13-15(17-9-18-16(13)22-19-10)20-6-4-11(5-7-20)14(21)12-3-2-8-23-12/h2-3,8-9,11,14,21H,4-7H2,1H3/t14-/m0/s1
InChIKeyVCGDAFPWDMTNQS-AWEZNQCLSA-N
XLogP2.94
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol (CID 97187333) is (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol is Cc1noc2ncnc(N3CCC([C@H](O)c4cccs4)CC3)c12.
What is the InChIKey of (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is VCGDAFPWDMTNQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-13-15(17-9-18-16(13)22-19-10)20-6-4-11(5-7-20)14(21)12-3-2-8-23-12/h2-3,8-9,11,14,21H,4-7H2,1H3/t14-/m0/s1.
What are the key properties of (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol?
(S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 330.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 97187333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).