[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone

C20H17NO3S — CID 3554885

IUPAC[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
SMILESCc1nc(C2OC2C(=O)c2ccccc2OCc2ccccc2)cs1
InChIInChI=1S/C20H17NO3S/c1-13-21-16(12-25-13)19-20(24-19)18(22)15-9-5-6-10-17(15)23-11-14-7-3-2-4-8-14/h2-10,12,19-20H,11H2,1H3
InChIKeyZSEKGKSKPDFLHU-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.35
Rot. Bonds6

About [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone

[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone (PubChem CID 3554885) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
PubChem CID3554885
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
SMILESCc1nc(C2OC2C(=O)c2ccccc2OCc2ccccc2)cs1
InChIInChI=1S/C20H17NO3S/c1-13-21-16(12-25-13)19-20(24-19)18(22)15-9-5-6-10-17(15)23-11-14-7-3-2-4-8-14/h2-10,12,19-20H,11H2,1H3
InChIKeyZSEKGKSKPDFLHU-UHFFFAOYSA-N
XLogP4.35
TPSA51.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 26985531
(2-phenylmethoxyphenyl)-[3-(4-propan-2-ylphenyl)oxiran-2-yl]methanone
CID 2780997
4-[(2S,3R)-3-(2-phenylmethoxybenzoyl)oxiran-2-yl]benzoate
CID 7036125
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
[(2R,3S)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036133
[(2S,3R)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036132
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
[2-(methoxymethoxy)phenyl]-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 11426116
4-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967635
3-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967634
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2-phenylmethoxybenzoyl chloride
CID 10999355

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
The IUPAC name of [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone (CID 3554885) is [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
The canonical SMILES for [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone is Cc1nc(C2OC2C(=O)c2ccccc2OCc2ccccc2)cs1.
What is the InChIKey of [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
The InChIKey is ZSEKGKSKPDFLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-13-21-16(12-25-13)19-20(24-19)18(22)15-9-5-6-10-17(15)23-11-14-7-3-2-4-8-14/h2-10,12,19-20H,11H2,1H3.
What are the key properties of [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone?
[3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone has a molecular weight of 351.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1,3-thiazol-4-yl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 3554885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).