4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one

C9H11NO4 — CID 115102521

IUPAC4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C(=O)OCC2CO)o1
InChIInChI=1S/C9H11NO4/c1-6-2-3-8(14-6)10-7(4-11)5-13-9(10)12/h2-3,7,11H,4-5H2,1H3
InChIKeyVFBKGPDQXSUQDT-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.91
Rot. Bonds2

About 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one

4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one (PubChem CID 115102521) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
PubChem CID115102521
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C(=O)OCC2CO)o1
InChIInChI=1S/C9H11NO4/c1-6-2-3-8(14-6)10-7(4-11)5-13-9(10)12/h2-3,7,11H,4-5H2,1H3
InChIKeyVFBKGPDQXSUQDT-UHFFFAOYSA-N
XLogP0.91
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 115102514
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115063936
(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
CID 97274733
(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 97277452
5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 130149088
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448
4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382032
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67381372
(4R)-4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382025
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011455

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one (CID 115102521) is 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one is Cc1ccc(N2C(=O)OCC2CO)o1.
What is the InChIKey of 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is VFBKGPDQXSUQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-6-2-3-8(14-6)10-7(4-11)5-13-9(10)12/h2-3,7,11H,4-5H2,1H3.
What are the key properties of 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one?
4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 197.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115102521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).