1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H21F3N4O4 — CID 126808621

IUPAC1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(c1cc2n(n1)CCO2)N1CCCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C16H21F3N4O4/c17-16(18,19)10-22(4-6-24)14(25)11-2-1-3-21(9-11)15(26)12-8-13-23(20-12)5-7-27-13/h8,11,24H,1-7,9-10H2
InChIKeyCIHAYZSFLGSMQN-UHFFFAOYSA-N
MW390.36 g/mol
LogP0.51
Rot. Bonds5

About 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 126808621) has the molecular formula C16H21F3N4O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID126808621
Molecular FormulaC16H21F3N4O4
Molecular Weight390.36 g/mol
Exact Mass390.15
IUPAC Name1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(c1cc2n(n1)CCO2)N1CCCC(C(=O)N(CCO)CC(F)(F)F)C1
InChIInChI=1S/C16H21F3N4O4/c17-16(18,19)10-22(4-6-24)14(25)11-2-1-3-21(9-11)15(26)12-8-13-23(20-12)5-7-27-13/h8,11,24H,1-7,9-10H2
InChIKeyCIHAYZSFLGSMQN-UHFFFAOYSA-N
XLogP0.51
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 126808621) is 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(c1cc2n(n1)CCO2)N1CCCC(C(=O)N(CCO)CC(F)(F)F)C1.
What is the InChIKey of 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is CIHAYZSFLGSMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O4/c17-16(18,19)10-22(4-6-24)14(25)11-2-1-3-21(9-11)15(26)12-8-13-23(20-12)5-7-27-13/h8,11,24H,1-7,9-10H2.
What are the key properties of 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carbonyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 126808621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).