6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

C20H19F2N5O2 — CID 152638186

IUPAC6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCC(C(=O)N3OCCC3c3cc(F)cc(F)c3)CC2)ncn1
InChIInChI=1S/C20H19F2N5O2/c21-15-7-14(8-16(22)9-15)18-3-6-29-27(18)20(28)13-1-4-26(5-2-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18H,1-6H2
InChIKeyZEZHBSGSXYCCCC-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.75
Rot. Bonds3

About 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile

6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 152638186) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID152638186
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCC(C(=O)N3OCCC3c3cc(F)cc(F)c3)CC2)ncn1
InChIInChI=1S/C20H19F2N5O2/c21-15-7-14(8-16(22)9-15)18-3-6-29-27(18)20(28)13-1-4-26(5-2-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18H,1-6H2
InChIKeyZEZHBSGSXYCCCC-UHFFFAOYSA-N
XLogP2.75
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile (CID 152638186) is 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile is N#Cc1cc(N2CCC(C(=O)N3OCCC3c3cc(F)cc(F)c3)CC2)ncn1.
What is the InChIKey of 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is ZEZHBSGSXYCCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-15-7-14(8-16(22)9-15)18-3-6-29-27(18)20(28)13-1-4-26(5-2-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18H,1-6H2.
What are the key properties of 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile?
6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 399.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 152638186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).