(3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol

C10H21NO2 — CID 20583769

IUPAC(3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol
SMILESCCCC(C)C1OC(CO)CN1C
InChIInChI=1S/C10H21NO2/c1-4-5-8(2)10-11(3)6-9(7-12)13-10/h8-10,12H,4-7H2,1-3H3
InChIKeyXRJVZFJHIBWJPC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.07
Rot. Bonds4

About (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol

(3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol (PubChem CID 20583769) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol
PubChem CID20583769
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol
SMILESCCCC(C)C1OC(CO)CN1C
InChIInChI=1S/C10H21NO2/c1-4-5-8(2)10-11(3)6-9(7-12)13-10/h8-10,12H,4-7H2,1-3H3
InChIKeyXRJVZFJHIBWJPC-UHFFFAOYSA-N
XLogP1.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol?
The IUPAC name of (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol (CID 20583769) is (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol.
What is the SMILES notation for (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol?
The canonical SMILES for (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol is CCCC(C)C1OC(CO)CN1C.
What is the InChIKey of (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol?
The InChIKey is XRJVZFJHIBWJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-8(2)10-11(3)6-9(7-12)13-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol?
(3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol has a molecular weight of 187.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pentan-2-yl-1,3-oxazolidin-5-yl)methanol is sourced from PubChem (CID 20583769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).