3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one

C8H13NO3 — CID 177165893

IUPAC3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1CCCO1
InChIInChI=1S/C8H13NO3/c10-8-9(3-5-12-8)6-7-2-1-4-11-7/h7H,1-6H2
InChIKeyFWJVYVXOOBNKMU-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.62
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one

3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 177165893) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID177165893
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1CCCO1
InChIInChI=1S/C8H13NO3/c10-8-9(3-5-12-8)6-7-2-1-4-11-7/h7H,1-6H2
InChIKeyFWJVYVXOOBNKMU-UHFFFAOYSA-N
XLogP0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Tetrahydrofurfuryloxazolidine
CID 129781098
2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate
CID 61068657
tert-butyl N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 59778337
N,N-bis(oxolan-2-ylmethyl)acetamide
CID 59944561
ethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 62045383
tert-butyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 63789222
tert-butyl N-methyl-N-[(oxolan-2-yl)methyl]carbamate
CID 65142791
tert-butyl N-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 66626301
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
3-[3-(Oxiran-2-yl)propyl]-1,3-oxazolidin-2-one
CID 87093291
Ethyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CID 122271198
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 143059682

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one (CID 177165893) is 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is FWJVYVXOOBNKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8-9(3-5-12-8)6-7-2-1-4-11-7/h7H,1-6H2.
What are the key properties of 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one?
3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 177165893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).