(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine

C8H11NO2 — CID 162376334

IUPAC(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine
SMILESCc1cc([C@@H]2CCON2)co1
InChIInChI=1S/C8H11NO2/c1-6-4-7(5-10-6)8-2-3-11-9-8/h4-5,8-9H,2-3H2,1H3/t8-/m0/s1
InChIKeyPJQJCHGFXWIEHP-QMMMGPOBSA-N
MW153.18 g/mol
LogP1.55
Rot. Bonds1

About (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine

(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine (PubChem CID 162376334) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine
PubChem CID162376334
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine
SMILESCc1cc([C@@H]2CCON2)co1
InChIInChI=1S/C8H11NO2/c1-6-4-7(5-10-6)8-2-3-11-9-8/h4-5,8-9H,2-3H2,1H3/t8-/m0/s1
InChIKeyPJQJCHGFXWIEHP-QMMMGPOBSA-N
XLogP1.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine?
The IUPAC name of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine (CID 162376334) is (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine?
The canonical SMILES for (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine is Cc1cc([C@@H]2CCON2)co1.
What is the InChIKey of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine?
The InChIKey is PJQJCHGFXWIEHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-7(5-10-6)8-2-3-11-9-8/h4-5,8-9H,2-3H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine?
(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine has a molecular weight of 153.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine is sourced from PubChem (CID 162376334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).