2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide

C14H19F2N3O3 — CID 129006241

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)C(F)(F)C2(O)CCC2)cn1
InChIInChI=1S/C14H19F2N3O3/c1-19-8-9(7-17-19)11-10(3-6-22-11)18-12(20)14(15,16)13(21)4-2-5-13/h7-8,10-11,21H,2-6H2,1H3,(H,18,20)/t10-,11+/m0/s1
InChIKeyLDXPRWFBLORBEO-WDEREUQCSA-N
MW315.32 g/mol
LogP0.92
Rot. Bonds4

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (PubChem CID 129006241) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
PubChem CID129006241
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)C(F)(F)C2(O)CCC2)cn1
InChIInChI=1S/C14H19F2N3O3/c1-19-8-9(7-17-19)11-10(3-6-22-11)18-12(20)14(15,16)13(21)4-2-5-13/h7-8,10-11,21H,2-6H2,1H3,(H,18,20)/t10-,11+/m0/s1
InChIKeyLDXPRWFBLORBEO-WDEREUQCSA-N
XLogP0.92
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide
CID 164634217
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-[(2R)-4-hydroxy-1-methoxybutan-2-yl]oxolane-3-carboxamide
CID 129477495
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 109902188
2,2-Difluoro-2-(1-hydroxycyclobutyl)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 109902729
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 112432794
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128893893
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128972719
4,4-difluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]cyclohexane-1-carboxamide
CID 128993483
3-(2,2-difluoroethoxy)-N-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]propanamide
CID 132388712
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2,2-difluoro-2-(1-hydroxycyclohexyl)acetamide
CID 137857408
N-[(2R,3S)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide
CID 137876584
(2S,3S)-N-(2,2-difluoropropyl)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 137980549

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (CID 129006241) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is Cn1cc([C@H]2OCC[C@@H]2NC(=O)C(F)(F)C2(O)CCC2)cn1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The InChIKey is LDXPRWFBLORBEO-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-19-8-9(7-17-19)11-10(3-6-22-11)18-12(20)14(15,16)13(21)4-2-5-13/h7-8,10-11,21H,2-6H2,1H3,(H,18,20)/t10-,11+/m0/s1.
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide has a molecular weight of 315.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 129006241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).