2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide

C16H18FN3O3 — CID 128969807

IUPAC2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c1-20-14(6-8-18-20)16-13(7-9-22-16)19-15(21)10-23-12-4-2-11(17)3-5-12/h2-6,8,13,16H,7,9-10H2,1H3,(H,19,21)/t13-,16-/m0/s1
InChIKeyYSBOCJUCVPGKBP-BBRMVZONSA-N
MW319.34 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide

2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide (PubChem CID 128969807) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
PubChem CID128969807
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
SMILESCn1nccc1[C@H]1OCC[C@@H]1NC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3/c1-20-14(6-8-18-20)16-13(7-9-22-16)19-15(21)10-23-12-4-2-11(17)3-5-12/h2-6,8,13,16H,7,9-10H2,1H3,(H,19,21)/t13-,16-/m0/s1
InChIKeyYSBOCJUCVPGKBP-BBRMVZONSA-N
XLogP1.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide
CID 128986254
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644
2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128970664
2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128986317
3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
CID 167929245
6-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyridine-2-carboxamide
CID 128986477
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976560
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
5-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128986488
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide (CID 128969807) is 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide is Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
The InChIKey is YSBOCJUCVPGKBP-BBRMVZONSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-20-14(6-8-18-20)16-13(7-9-22-16)19-15(21)10-23-12-4-2-11(17)3-5-12/h2-6,8,13,16H,7,9-10H2,1H3,(H,19,21)/t13-,16-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide?
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 128969807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).