(4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one

C8H13NO2 — CID 118219639

IUPAC(4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N[C@@H]1C1CC1
InChIInChI=1S/C8H13NO2/c1-2-6-7(5-3-4-5)9-8(10)11-6/h5-7H,2-4H2,1H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyRBDWVMOIEUSVIV-NKWVEPMBSA-N
MW155.20 g/mol
LogP1.28
Rot. Bonds2

About (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one

(4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 118219639) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one
PubChem CID118219639
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@@H]1OC(=O)N[C@@H]1C1CC1
InChIInChI=1S/C8H13NO2/c1-2-6-7(5-3-4-5)9-8(10)11-6/h5-7H,2-4H2,1H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyRBDWVMOIEUSVIV-NKWVEPMBSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-5-ethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14023289
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
(4R)-5-(chloromethyl)-4-methyl-1,3-oxazolidin-2-one
CID 118216476
(3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
CID 11819270
(4S,5S)-5-ethyl-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 11791160
(4S,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 641518
(4R,5S)-4-ethyl-5-methyl-1,3-oxazolidin-2-one
CID 11147728
(4S,5S)-5-(piperidin-1-ylmethyl)-4-propyl-1,3-oxazolidin-2-one
CID 102227097
(4R,5S)-4-butyl-5-(chloromethyl)-1,3-oxazolidin-2-one
CID 15531680
(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 14310923
(4R,5R)-4-[(4-bromophenyl)methyl]-5-ethyl-1,3-oxazolidin-2-one;carbon dioxide
CID 160814022

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one (CID 118219639) is (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one is CC[C@@H]1OC(=O)N[C@@H]1C1CC1.
What is the InChIKey of (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is RBDWVMOIEUSVIV-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6-7(5-3-4-5)9-8(10)11-6/h5-7H,2-4H2,1H3,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one?
(4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-cyclopropyl-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118219639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).