3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

C18H24N2O3S — CID 95622851

IUPAC3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCS[C@@H]1CCCCN(C(=O)c2ccc(N3CCOC3=O)cc2)C1
InChIInChI=1S/C18H24N2O3S/c1-2-24-16-5-3-4-10-19(13-16)17(21)14-6-8-15(9-7-14)20-11-12-23-18(20)22/h6-9,16H,2-5,10-13H2,1H3/t16-/m1/s1
InChIKeySZLDPLWLWMKDJO-MRXNPFEDSA-N
MW348.47 g/mol
LogP3.39
Rot. Bonds4

About 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one

3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 95622851) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID95622851
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
SMILESCCS[C@@H]1CCCCN(C(=O)c2ccc(N3CCOC3=O)cc2)C1
InChIInChI=1S/C18H24N2O3S/c1-2-24-16-5-3-4-10-19(13-16)17(21)14-6-8-15(9-7-14)20-11-12-23-18(20)22/h6-9,16H,2-5,10-13H2,1H3/t16-/m1/s1
InChIKeySZLDPLWLWMKDJO-MRXNPFEDSA-N
XLogP3.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminophenyl)-(3-ethylsulfanylazepan-1-yl)methanone;hydrochloride
CID 119783621
3-(3-ethylsulfanylazepane-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 86938919
5-(3-ethylsulfanylazepane-1-carbonyl)thiophene-2-carboxylic acid
CID 119184955
(3-ethylsulfanylazepan-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
CID 126839952
3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one
CID 126809257
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
1-[5-[(3R)-3-ethylsulfanylazepane-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 95622903
3-[3-[(3aS,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 95973877
4-(3-ethylsulfanylazepane-1-carbonyl)-2H-phthalazin-1-one
CID 166203105
2-methyl-N-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 46465302
3-[4-[(2S)-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 99788705
3-(4-cyclohexylphenyl)-1,3-oxazolidin-2-one
CID 170782737

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one (CID 95622851) is 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is CCS[C@@H]1CCCCN(C(=O)c2ccc(N3CCOC3=O)cc2)C1.
What is the InChIKey of 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SZLDPLWLWMKDJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-2-24-16-5-3-4-10-19(13-16)17(21)14-6-8-15(9-7-14)20-11-12-23-18(20)22/h6-9,16H,2-5,10-13H2,1H3/t16-/m1/s1.
What are the key properties of 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 348.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-3-ethylsulfanylazepane-1-carbonyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95622851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).