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

C17H19F2N3O3 — CID 126784719

IUPAC2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)Cc2ccccc2OC(F)F)cn1
InChIInChI=1S/C17H19F2N3O3/c1-22-10-12(9-20-22)16-13(6-7-24-16)21-15(23)8-11-4-2-3-5-14(11)25-17(18)19/h2-5,9-10,13,16-17H,6-8H2,1H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyJRZCUVYNVFIQEB-XJKSGUPXSA-N
MW351.35 g/mol
LogP2.21
Rot. Bonds6

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

2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (PubChem CID 126784719) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
PubChem CID126784719
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)Cc2ccccc2OC(F)F)cn1
InChIInChI=1S/C17H19F2N3O3/c1-22-10-12(9-20-22)16-13(6-7-24-16)21-15(23)8-11-4-2-3-5-14(11)25-17(18)19/h2-5,9-10,13,16-17H,6-8H2,1H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyJRZCUVYNVFIQEB-XJKSGUPXSA-N
XLogP2.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
(2S)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2-phenylpropanamide
CID 129006215
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128992337
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
1-[(1R)-1-(2,6-dimethylphenyl)ethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 100630575
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
1-(6-methoxypyrimidin-4-yl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 129005975
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 154800221
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475287
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide (CID 126784719) is 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is Cn1cc([C@H]2OCC[C@@H]2NC(=O)Cc2ccccc2OC(F)F)cn1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
The InChIKey is JRZCUVYNVFIQEB-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-22-10-12(9-20-22)16-13(6-7-24-16)21-15(23)8-11-4-2-3-5-14(11)25-17(18)19/h2-5,9-10,13,16-17H,6-8H2,1H3,(H,21,23)/t13-,16+/m0/s1.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide?
2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide has a molecular weight of 351.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 126784719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).