5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

C18H18FN7O2 — CID 162376381

IUPAC5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)ncc1F
InChIInChI=1S/C18H18FN7O2/c19-13-10-23-18(24-14(13)9-20)25-6-1-12(2-7-25)17(27)26-16(3-8-28-26)15-11-21-4-5-22-15/h4-5,10-12,16H,1-3,6-8H2/t16-/m0/s1
InChIKeyOKANWHJZLLBWQT-INIZCTEOSA-N
MW383.39 g/mol
LogP1.40
Rot. Bonds3

About 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 162376381) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID162376381
Molecular FormulaC18H18FN7O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC Name5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1nc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)ncc1F
InChIInChI=1S/C18H18FN7O2/c19-13-10-23-18(24-14(13)9-20)25-6-1-12(2-7-25)17(27)26-16(3-8-28-26)15-11-21-4-5-22-15/h4-5,10-12,16H,1-3,6-8H2/t16-/m0/s1
InChIKeyOKANWHJZLLBWQT-INIZCTEOSA-N
XLogP1.40
TPSA108.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile (CID 162376381) is 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile is N#Cc1nc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is OKANWHJZLLBWQT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN7O2/c19-13-10-23-18(24-14(13)9-20)25-6-1-12(2-7-25)17(27)26-16(3-8-28-26)15-11-21-4-5-22-15/h4-5,10-12,16H,1-3,6-8H2/t16-/m0/s1.
What are the key properties of 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 383.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 162376381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).