[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone

C19H21N7O2 — CID 168838981

IUPAC[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
SMILES[C-]#[N+]c1cc(N2CCC(C(=O)N3OCC[C@H]3c3cnc(C)cn3)CC2)ncn1
InChIInChI=1S/C19H21N7O2/c1-13-10-22-15(11-21-13)16-5-8-28-26(16)19(27)14-3-6-25(7-4-14)18-9-17(20-2)23-12-24-18/h9-12,14,16H,3-8H2,1H3/t16-/m0/s1
InChIKeySXGVSXRMJULXII-INIZCTEOSA-N
MW379.42 g/mol
LogP2.25
Rot. Bonds3

About [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone

[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone (PubChem CID 168838981) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
PubChem CID168838981
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
SMILES[C-]#[N+]c1cc(N2CCC(C(=O)N3OCC[C@H]3c3cnc(C)cn3)CC2)ncn1
InChIInChI=1S/C19H21N7O2/c1-13-10-22-15(11-21-13)16-5-8-28-26(16)19(27)14-3-6-25(7-4-14)18-9-17(20-2)23-12-24-18/h9-12,14,16H,3-8H2,1H3/t16-/m0/s1
InChIKeySXGVSXRMJULXII-INIZCTEOSA-N
XLogP2.25
TPSA88.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 168838992
6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376501
tert-butyl 1-(6-isocyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 168838987
6-[4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 151520551
[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172581916
6-[4-[3-[5-(hydroxymethyl)-3-pyridinyl]-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376351
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]methanone
CID 177260559
[4-[(5-fluoro-2-methyl-3-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172582080
5-[5-fluoro-2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-4-one
CID 172581364
5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
3-fluoro-5-[(3S)-2-[1-(5-fluoro-6-methoxypyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170957536

Frequently Asked Questions

What is the IUPAC name of [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone (CID 168838981) is [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone is [C-]#[N+]c1cc(N2CCC(C(=O)N3OCC[C@H]3c3cnc(C)cn3)CC2)ncn1.
What is the InChIKey of [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
The InChIKey is SXGVSXRMJULXII-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13-10-22-15(11-21-13)16-5-8-28-26(16)19(27)14-3-6-25(7-4-14)18-9-17(20-2)23-12-24-18/h9-12,14,16H,3-8H2,1H3/t16-/m0/s1.
What are the key properties of [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone has a molecular weight of 379.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 168838981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).