(2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine

C17H17FN4O2 — CID 99966752

IUPAC(2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESFc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1
InChIInChI=1S/C17H17FN4O2/c18-14-5-3-13(4-6-14)10-22-12-16(19-20-22)17-21(7-9-24-17)11-15-2-1-8-23-15/h1-6,8,12,17H,7,9-11H2/t17-/m0/s1
InChIKeyJXOULABNVDKPDF-KRWDZBQOSA-N
MW328.35 g/mol
LogP2.59
Rot. Bonds5

About (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine

(2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (PubChem CID 99966752) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
PubChem CID99966752
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name(2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine
SMILESFc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1
InChIInChI=1S/C17H17FN4O2/c18-14-5-3-13(4-6-14)10-22-12-16(19-20-22)17-21(7-9-24-17)11-15-2-1-8-23-15/h1-6,8,12,17H,7,9-11H2/t17-/m0/s1
InChIKeyJXOULABNVDKPDF-KRWDZBQOSA-N
XLogP2.59
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The IUPAC name of (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine (CID 99966752) is (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The canonical SMILES for (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is Fc1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1.
What is the InChIKey of (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
The InChIKey is JXOULABNVDKPDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-14-5-3-13(4-6-14)10-22-12-16(19-20-22)17-21(7-9-24-17)11-15-2-1-8-23-15/h1-6,8,12,17H,7,9-11H2/t17-/m0/s1.
What are the key properties of (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine?
(2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine has a molecular weight of 328.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-oxazolidine is sourced from PubChem (CID 99966752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).