[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H21NO5 — CID 67120443

IUPAC[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)co2)cc1
InChIInChI=1S/C21H21NO5/c1-5-13-6-8-14(9-7-13)21-22-16(12-27-21)19(23)15-10-17(24-2)20(26-4)18(11-15)25-3/h6-12H,5H2,1-4H3
InChIKeyIEBQBFDLTOOXPR-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.16
Rot. Bonds7

About [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 67120443) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID67120443
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)co2)cc1
InChIInChI=1S/C21H21NO5/c1-5-13-6-8-14(9-7-13)21-22-16(12-27-21)19(23)15-10-17(24-2)20(26-4)18(11-15)25-3/h6-12H,5H2,1-4H3
InChIKeyIEBQBFDLTOOXPR-UHFFFAOYSA-N
XLogP4.16
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67120371
(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 67120454
(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 87276449
2-(3-butoxy-4-methoxyphenyl)-1,3-oxazole-4-carbonyl bromide
CID 118336542
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46210451
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344
1-ethyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111590517
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
(6-phenylpyrimidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364049
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 67120443) is [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is CCc1ccc(-c2nc(C(=O)c3cc(OC)c(OC)c(OC)c3)co2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IEBQBFDLTOOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-5-13-6-8-14(9-7-13)21-22-16(12-27-21)19(23)15-10-17(24-2)20(26-4)18(11-15)25-3/h6-12H,5H2,1-4H3.
What are the key properties of [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 367.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 67120443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).