2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C13H16F3N3O3 — CID 167414272

IUPAC2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(CCOCC1(C(F)(F)F)CC1)O2
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)12(2-3-12)7-21-4-1-8-6-19-10(22-8)5-9(18-19)11(17)20/h5,8H,1-4,6-7H2,(H2,17,20)
InChIKeyKETVVRHSMZTLPK-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 167414272) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID167414272
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESNC(=O)c1cc2n(n1)CC(CCOCC1(C(F)(F)F)CC1)O2
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)12(2-3-12)7-21-4-1-8-6-19-10(22-8)5-9(18-19)11(17)20/h5,8H,1-4,6-7H2,(H2,17,20)
InChIKeyKETVVRHSMZTLPK-UHFFFAOYSA-N
XLogP1.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-cyclohexyl-2,2-difluoroethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 164632353
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 150533227
Ethyl 2-[2-(2,2,2-trifluoroethylamino)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
CID 150802408
Ethyl 2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
CID 152032089
2-[2-(2,2-Difluoroethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b]oxazole-6-carboxylic acid
CID 152599148
Ethyl 2-(2,2,2-trifluoroethoxymethyl)-2,3-dihydropyrazolo[5,1-b]oxazole-6-carboxylate
CID 153545595
2-[2-(Trifluoromethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylic acid
CID 153545730
2-[2-(Difluoromethoxy)ethyl]-2,3-dihydropyrazolo[5,1-b]oxazole-6-carboxylic acid
CID 153545753
Ethyl 2-[2-(3,3-difluoroazetidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxylate
CID 153545767
5-(difluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 167414073
6,6-Difluoro-5-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 167414107
2-(Difluoromethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167414132

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 167414272) is 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is NC(=O)c1cc2n(n1)CC(CCOCC1(C(F)(F)F)CC1)O2.
What is the InChIKey of 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is KETVVRHSMZTLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c14-13(15,16)12(2-3-12)7-21-4-1-8-6-19-10(22-8)5-9(18-19)11(17)20/h5,8H,1-4,6-7H2,(H2,17,20).
What are the key properties of 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(trifluoromethyl)cyclopropyl]methoxy]ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 167414272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).