(2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide

C18H22FN3O3 — CID 129342078

IUPAC(2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)Oc1cccc(F)c1
InChIInChI=1S/C18H22FN3O3/c1-12(25-14-5-3-4-13(19)10-14)11-20-18(23)15-7-9-24-17(15)16-6-8-21-22(16)2/h3-6,8,10,12,15,17H,7,9,11H2,1-2H3,(H,20,23)/t12-,15-,17-/m1/s1
InChIKeyZULWRVGNXNFGPE-SRCQZFHVSA-N
MW347.39 g/mol
LogP2.22
Rot. Bonds6

About (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide

(2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 129342078) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID129342078
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name(2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)Oc1cccc(F)c1
InChIInChI=1S/C18H22FN3O3/c1-12(25-14-5-3-4-13(19)10-14)11-20-18(23)15-7-9-24-17(15)16-6-8-21-22(16)2/h3-6,8,10,12,15,17H,7,9,11H2,1-2H3,(H,20,23)/t12-,15-,17-/m1/s1
InChIKeyZULWRVGNXNFGPE-SRCQZFHVSA-N
XLogP2.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide (CID 129342078) is (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide is C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)Oc1cccc(F)c1.
What is the InChIKey of (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is ZULWRVGNXNFGPE-SRCQZFHVSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12(25-14-5-3-4-13(19)10-14)11-20-18(23)15-7-9-24-17(15)16-6-8-21-22(16)2/h3-6,8,10,12,15,17H,7,9,11H2,1-2H3,(H,20,23)/t12-,15-,17-/m1/s1.
What are the key properties of (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide?
(2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2R)-2-(3-fluorophenoxy)propyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129342078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).