3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

C12H22N2O3 — CID 3040572

IUPAC3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1CC(CN2CCOCC2)OC1=O
InChIInChI=1S/C12H22N2O3/c1-10(2)7-14-9-11(17-12(14)15)8-13-3-5-16-6-4-13/h10-11H,3-9H2,1-2H3
InChIKeyUWLPAFDXOFCXMI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.80
Rot. Bonds4

About 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 3040572) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID3040572
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1CC(CN2CCOCC2)OC1=O
InChIInChI=1S/C12H22N2O3/c1-10(2)7-14-9-11(17-12(14)15)8-13-3-5-16-6-4-13/h10-11H,3-9H2,1-2H3
InChIKeyUWLPAFDXOFCXMI-UHFFFAOYSA-N
XLogP0.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
2-Oxazolidinone, 5-(1-piperidinylmethyl)-3-propyl-, monohydrobromide
CID 3040557
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-propyl-, monohydrobromide
CID 3040561
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-butyl-, monohydrobromide
CID 3040563
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-(2-methylpropyl)-, monohydrobromide
CID 3040565
2-Oxazolidinone, 3-(2-methylpropyl)-5-(4-morpholinylmethyl)-, monohydrobromide
CID 3040571
5-(Aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 55268663
3-[3-[4-(2-Methylpropoxy)piperidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 71887084
3-[2-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethyl]-1,3-oxazolidin-2-one
CID 95238534
(1-methylpiperidin-4-yl) (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129529883
5-(Piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
CID 3040558

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (CID 3040572) is 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is CC(C)CN1CC(CN2CCOCC2)OC1=O.
What is the InChIKey of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is UWLPAFDXOFCXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(2)7-14-9-11(17-12(14)15)8-13-3-5-16-6-4-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3040572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).