(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

C18H17F2N5O2 — CID 92692710

IUPAC(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1noc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4F)C3)c12
InChIInChI=1S/C18H17F2N5O2/c1-10-15-16(21-9-22-18(15)27-24-10)25-6-2-3-11(8-25)17(26)23-14-5-4-12(19)7-13(14)20/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,23,26)/t11-/m1/s1
InChIKeyYGJXDPAPQLPRTA-LLVKDONJSA-N
MW373.36 g/mol
LogP3.06
Rot. Bonds3

About (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92692710) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID92692710
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1noc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4F)C3)c12
InChIInChI=1S/C18H17F2N5O2/c1-10-15-16(21-9-22-18(15)27-24-10)25-6-2-3-11(8-25)17(26)23-14-5-4-12(19)7-13(14)20/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,23,26)/t11-/m1/s1
InChIKeyYGJXDPAPQLPRTA-LLVKDONJSA-N
XLogP3.06
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 20924789
N-(2-chloro-4-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290069
(3S)-N-(4-bromo-2-fluorophenyl)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866236
N-(1,3-benzodioxol-5-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 20929390
(3R)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 92692388
N-(2-ethylphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 20924830
N-(2,5-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 20924807
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 20929396
methyl 2-[[(3S)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carbonyl]amino]benzoate
CID 92692370
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20929427
(3R)-1-(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 92745861
(3S)-N-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 92692376

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92692710) is (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1noc2ncnc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4F)C3)c12.
What is the InChIKey of (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is YGJXDPAPQLPRTA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-10-15-16(21-9-22-18(15)27-24-10)25-6-2-3-11(8-25)17(26)23-14-5-4-12(19)7-13(14)20/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,23,26)/t11-/m1/s1.
What are the key properties of (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide?
(3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-difluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92692710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).