2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

C16H17N3O2S — CID 136530298

IUPAC2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(COc3c(C)cccc3C)o2)cs1
InChIInChI=1S/C16H17N3O2S/c1-10-5-4-6-11(2)16(10)20-8-15-19-18-14(21-15)7-13-9-22-12(3)17-13/h4-6,9H,7-8H2,1-3H3
InChIKeyXHFSDKDHDVOSPW-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.62
Rot. Bonds5

About 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 136530298) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID136530298
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nc(Cc2nnc(COc3c(C)cccc3C)o2)cs1
InChIInChI=1S/C16H17N3O2S/c1-10-5-4-6-11(2)16(10)20-8-15-19-18-14(21-15)7-13-9-22-12(3)17-13/h4-6,9H,7-8H2,1-3H3
InChIKeyXHFSDKDHDVOSPW-UHFFFAOYSA-N
XLogP3.62
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 7810645
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608449
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
2-(9H-fluoren-9-ylsulfanyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 7810525
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 52709513
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7810373
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
CID 56810536
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 47095095

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 136530298) is 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is Cc1nc(Cc2nnc(COc3c(C)cccc3C)o2)cs1.
What is the InChIKey of 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is XHFSDKDHDVOSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-5-4-6-11(2)16(10)20-8-15-19-18-14(21-15)7-13-9-22-12(3)17-13/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 315.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenoxy)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 136530298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).