3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one

C9H17NO3 — CID 176829050

IUPAC3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(C(C)(C)C)C(=O)O1
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-5-7(6-12-4)13-8(10)11/h7H,5-6H2,1-4H3
InChIKeyANDZQIUMGOZJCX-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds2

About 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one

3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 176829050) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID176829050
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(C(C)(C)C)C(=O)O1
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-5-7(6-12-4)13-8(10)11/h7H,5-6H2,1-4H3
InChIKeyANDZQIUMGOZJCX-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-tert-butyl-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 2793776
(5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
CID 11019781
3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 14281039
(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 90178842
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 70050434
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
3-(6-bromo-3-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 23371856
3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 3061370
(5R)-5-(methoxymethyl)-3-[4-(4,4,4-trifluorobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 142257657
3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 170608873

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 176829050) is 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one is COCC1CN(C(C)(C)C)C(=O)O1.
What is the InChIKey of 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is ANDZQIUMGOZJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)10-5-7(6-12-4)13-8(10)11/h7H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one?
3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 176829050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).