[5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane

C14H18ClN3O3S — CID 124889532

IUPAC[5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane
SMILESCc1cc(Cl)ccc1O[C@H](C)c1nc(CN=S(C)(C)=O)no1
InChIInChI=1S/C14H18ClN3O3S/c1-9-7-11(15)5-6-12(9)20-10(2)14-17-13(18-21-14)8-16-22(3,4)19/h5-7,10H,8H2,1-4H3/t10-/m1/s1
InChIKeyVGGDUARLTSQXGU-SNVBAGLBSA-N
MW343.84 g/mol
LogP3.40
Rot. Bonds5

About [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane

[5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane (PubChem CID 124889532) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane
PubChem CID124889532
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name[5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane
SMILESCc1cc(Cl)ccc1O[C@H](C)c1nc(CN=S(C)(C)=O)no1
InChIInChI=1S/C14H18ClN3O3S/c1-9-7-11(15)5-6-12(9)20-10(2)14-17-13(18-21-14)8-16-22(3,4)19/h5-7,10H,8H2,1-4H3/t10-/m1/s1
InChIKeyVGGDUARLTSQXGU-SNVBAGLBSA-N
XLogP3.40
TPSA77.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane with MolForge

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Related Compounds

5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911303
2-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]furan
CID 9179338
1-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861132
1-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853160
5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 71212790
5-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzaldehyde
CID 61497406
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 7321005
2-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-benzimidazole
CID 139695635
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895376
1-[5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868456

Frequently Asked Questions

What is the IUPAC name of [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane (CID 124889532) is [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane is Cc1cc(Cl)ccc1O[C@H](C)c1nc(CN=S(C)(C)=O)no1.
What is the InChIKey of [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane?
The InChIKey is VGGDUARLTSQXGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-9-7-11(15)5-6-12(9)20-10(2)14-17-13(18-21-14)8-16-22(3,4)19/h5-7,10H,8H2,1-4H3/t10-/m1/s1.
What are the key properties of [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane?
[5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane has a molecular weight of 343.84 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R)-1-(4-chloro-2-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]methylimino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 124889532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).