2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide

C17H20FN3O2 — CID 164640395

IUPAC2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide
SMILESCn1cc([C@]2(CNC(=O)Cc3ccc(F)cc3)CCCO2)cn1
InChIInChI=1S/C17H20FN3O2/c1-21-11-14(10-20-21)17(7-2-8-23-17)12-19-16(22)9-13-3-5-15(18)6-4-13/h3-6,10-11H,2,7-9,12H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyRHGNFPBVECEDMF-QGZVFWFLSA-N
MW317.36 g/mol
LogP1.92
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide (PubChem CID 164640395) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide
PubChem CID164640395
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide
SMILESCn1cc([C@]2(CNC(=O)Cc3ccc(F)cc3)CCCO2)cn1
InChIInChI=1S/C17H20FN3O2/c1-21-11-14(10-20-21)17(7-2-8-23-17)12-19-16(22)9-13-3-5-15(18)6-4-13/h3-6,10-11H,2,7-9,12H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyRHGNFPBVECEDMF-QGZVFWFLSA-N
XLogP1.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide (CID 164640395) is 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide is Cn1cc([C@]2(CNC(=O)Cc3ccc(F)cc3)CCCO2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide?
The InChIKey is RHGNFPBVECEDMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-21-11-14(10-20-21)17(7-2-8-23-17)12-19-16(22)9-13-3-5-15(18)6-4-13/h3-6,10-11H,2,7-9,12H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 164640395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).