(4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C11H17N3O4 — CID 72898950

IUPAC(4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOCc1nc(CN2C(=O)OC[C@@H]2C(C)C)no1
InChIInChI=1S/C11H17N3O4/c1-7(2)8-5-17-11(15)14(8)4-9-12-10(6-16-3)18-13-9/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQEEZPKGRNZHIEJ-MRVPVSSYSA-N
MW255.27 g/mol
LogP1.19
Rot. Bonds5

About (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 72898950) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID72898950
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOCc1nc(CN2C(=O)OC[C@@H]2C(C)C)no1
InChIInChI=1S/C11H17N3O4/c1-7(2)8-5-17-11(15)14(8)4-9-12-10(6-16-3)18-13-9/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQEEZPKGRNZHIEJ-MRVPVSSYSA-N
XLogP1.19
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 72913100
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156607205
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
4-benzyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 72858582
(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774467
3-[[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 133131575
1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 110019482
3-(isocyanomethyl)-5-(methoxymethyl)-1,2,4-oxadiazole
CID 18953443
5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 126662409
(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
CID 70715898
(4S)-3-[(3-cyclohexylimidazol-4-yl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 72941411

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 72898950) is (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is COCc1nc(CN2C(=O)OC[C@@H]2C(C)C)no1.
What is the InChIKey of (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QEEZPKGRNZHIEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)8-5-17-11(15)14(8)4-9-12-10(6-16-3)18-13-9/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 255.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72898950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).