N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H16N4O3S — CID 16611578

IUPACN-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(COc2ccc(-c3nnco3)cc2)cs1
InChIInChI=1S/C20H16N4O3S/c1-14(25)24(17-5-3-2-4-6-17)20-22-16(12-28-20)11-26-18-9-7-15(8-10-18)19-23-21-13-27-19/h2-10,12-13H,11H2,1H3
InChIKeyWXIBLDKGPCDHKD-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.46
Rot. Bonds6

About N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 16611578) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID16611578
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(COc2ccc(-c3nnco3)cc2)cs1
InChIInChI=1S/C20H16N4O3S/c1-14(25)24(17-5-3-2-4-6-17)20-22-16(12-28-20)11-26-18-9-7-15(8-10-18)19-23-21-13-27-19/h2-10,12-13H,11H2,1H3
InChIKeyWXIBLDKGPCDHKD-UHFFFAOYSA-N
XLogP4.46
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 38928978
dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16610768
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092682
N-[4-[(4-benzoylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16611293
N-[4-[[4-(4-cyanophenyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 38902175
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (E)-3-pyridin-4-ylprop-2-enoate
CID 167802219
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8694972
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate
CID 8018161
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
CID 7797536
2-O-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505745
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7783579

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 16611578) is N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(COc2ccc(-c3nnco3)cc2)cs1.
What is the InChIKey of N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is WXIBLDKGPCDHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-14(25)24(17-5-3-2-4-6-17)20-22-16(12-28-20)11-26-18-9-7-15(8-10-18)19-23-21-13-27-19/h2-10,12-13H,11H2,1H3.
What are the key properties of N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 392.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 16611578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).