[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate

C22H31N5O4 — CID 154616593

IUPAC[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCCCC4(C)C)C3)[nH]n2)on1
InChIInChI=1S/C22H31N5O4/c1-14-10-17(31-26-14)12-20(28)23-19-13-18(24-25-19)15-6-7-16(11-15)30-21(29)27-9-5-4-8-22(27,2)3/h10,13,15-16H,4-9,11-12H2,1-3H3,(H2,23,24,25,28)/t15-,16+/m0/s1
InChIKeyQIFACOSFEYVWNN-JKSUJKDBSA-N
MW429.52 g/mol
LogP3.92
Rot. Bonds5

About [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate

[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate (PubChem CID 154616593) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate
PubChem CID154616593
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate
SMILESCc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCCCC4(C)C)C3)[nH]n2)on1
InChIInChI=1S/C22H31N5O4/c1-14-10-17(31-26-14)12-20(28)23-19-13-18(24-25-19)15-6-7-16(11-15)30-21(29)27-9-5-4-8-22(27,2)3/h10,13,15-16H,4-9,11-12H2,1-3H3,(H2,23,24,25,28)/t15-,16+/m0/s1
InChIKeyQIFACOSFEYVWNN-JKSUJKDBSA-N
XLogP3.92
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate with MolForge

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Related Compounds

US11014911, Example 12
CID 154616748
[(1R,4S)-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cycloheptyl] N-(1-methylcyclopropyl)carbamate
CID 164879408
US11014911, Example 453
CID 154616393
US11014911, Example 89
CID 154616803
US11014911, Example 71
CID 154664628
US11014911, Example 85
CID 155040547
US11014911, Example 63
CID 155040830
US11014911, Example 451
CID 155040880
US11014911, Example 396
CID 154616515
US11014911, Example 246
CID 154616893
US11014911, Example 632
CID 154616395
US11014911, Example 268
CID 154616405

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate?
The IUPAC name of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate (CID 154616593) is [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate?
The canonical SMILES for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate is Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCCCC4(C)C)C3)[nH]n2)on1.
What is the InChIKey of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate?
The InChIKey is QIFACOSFEYVWNN-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-14-10-17(31-26-14)12-20(28)23-19-13-18(24-25-19)15-6-7-16(11-15)30-21(29)27-9-5-4-8-22(27,2)3/h10,13,15-16H,4-9,11-12H2,1-3H3,(H2,23,24,25,28)/t15-,16+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate?
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2,2-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 154616593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).