[4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol

C8H17NO3 — CID 71336935

IUPAC[4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol
SMILESCCCC1NC(CO)(CO)CO1
InChIInChI=1S/C8H17NO3/c1-2-3-7-9-8(4-10,5-11)6-12-7/h7,9-11H,2-6H2,1H3
InChIKeyULTVERNWTNPYGE-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.54
Rot. Bonds4

About [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol

[4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol (PubChem CID 71336935) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol
PubChem CID71336935
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol
SMILESCCCC1NC(CO)(CO)CO1
InChIInChI=1S/C8H17NO3/c1-2-3-7-9-8(4-10,5-11)6-12-7/h7,9-11H,2-6H2,1H3
InChIKeyULTVERNWTNPYGE-UHFFFAOYSA-N
XLogP-0.54
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol (CID 71336935) is [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol is CCCC1NC(CO)(CO)CO1.
What is the InChIKey of [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol?
The InChIKey is ULTVERNWTNPYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-7-9-8(4-10,5-11)6-12-7/h7,9-11H,2-6H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol?
[4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol has a molecular weight of 175.23 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-propyl-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 71336935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).