3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile

C23H22FN7O3 — CID 170776244

IUPAC3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
SMILESCc1nnc(-c2ccnc(N3CCC(C(=O)N4OCCC4c4cc(F)cc(C#N)c4)CC3)n2)o1
InChIInChI=1S/C23H22FN7O3/c1-14-28-29-21(34-14)19-2-6-26-23(27-19)30-7-3-16(4-8-30)22(32)31-20(5-9-33-31)17-10-15(13-25)11-18(24)12-17/h2,6,10-12,16,20H,3-5,7-9H2,1H3
InChIKeyVYVPHIIGCASSNP-UHFFFAOYSA-N
MW463.47 g/mol
LogP2.97
Rot. Bonds4

About 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile

3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile (PubChem CID 170776244) has the molecular formula C23H22FN7O3 and a molecular weight of 463.47 g/mol. Its IUPAC name is 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
PubChem CID170776244
Molecular FormulaC23H22FN7O3
Molecular Weight463.47 g/mol
Exact Mass463.18
IUPAC Name3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
SMILESCc1nnc(-c2ccnc(N3CCC(C(=O)N4OCCC4c4cc(F)cc(C#N)c4)CC3)n2)o1
InChIInChI=1S/C23H22FN7O3/c1-14-28-29-21(34-14)19-2-6-26-23(27-19)30-7-3-16(4-8-30)22(32)31-20(5-9-33-31)17-10-15(13-25)11-18(24)12-17/h2,6,10-12,16,20H,3-5,7-9H2,1H3
InChIKeyVYVPHIIGCASSNP-UHFFFAOYSA-N
XLogP2.97
TPSA121.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile with MolForge

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Related Compounds

3-fluoro-5-[(3S)-2-[1-(5-fluoro-6-methoxypyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170957536
3-[2-(cyclohexanecarbonyl)-1,2-oxazolidin-3-yl]-5-fluorobenzonitrile
CID 172582946
5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 154697985
3-[(3S)-2-[4-(aminomethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]-5-fluorobenzonitrile;hydrochloride
CID 172582814
[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-[1-[4-(oxetan-3-yl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 172581423
2-methyl-5-[(3S)-2-(1-pyrimidin-2-ylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 169090117
3-fluoro-5-[(3S)-2-[4-[(3-methylindazol-2-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172581608
2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 162376533
ethyl 3-[[2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonyl]amino]azetidine-1-carboxylate
CID 162376600
3-fluoro-5-[(3S)-2-[4-[(5-fluoroindazol-2-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172581829

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile (CID 170776244) is 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile is Cc1nnc(-c2ccnc(N3CCC(C(=O)N4OCCC4c4cc(F)cc(C#N)c4)CC3)n2)o1.
What is the InChIKey of 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
The InChIKey is VYVPHIIGCASSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O3/c1-14-28-29-21(34-14)19-2-6-26-23(27-19)30-7-3-16(4-8-30)22(32)31-20(5-9-33-31)17-10-15(13-25)11-18(24)12-17/h2,6,10-12,16,20H,3-5,7-9H2,1H3.
What are the key properties of 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile?
3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile has a molecular weight of 463.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 170776244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).