bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone

C23H20N2O5 — CID 174684949

IUPACbis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCOc1cccc(-c2noc(C)c2C(=O)c2c(-c3cccc(OC)c3)noc2C)c1
InChIInChI=1S/C23H20N2O5/c1-13-19(21(24-29-13)15-7-5-9-17(11-15)27-3)23(26)20-14(2)30-25-22(20)16-8-6-10-18(12-16)28-4/h5-12H,1-4H3
InChIKeyOZJSOASZOWSCJG-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.86
Rot. Bonds6

About bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone

bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone (PubChem CID 174684949) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namebis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
PubChem CID174684949
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Namebis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCOc1cccc(-c2noc(C)c2C(=O)c2c(-c3cccc(OC)c3)noc2C)c1
InChIInChI=1S/C23H20N2O5/c1-13-19(21(24-29-13)15-7-5-9-17(11-15)27-3)23(26)20-14(2)30-25-22(20)16-8-6-10-18(12-16)28-4/h5-12H,1-4H3
InChIKeyOZJSOASZOWSCJG-UHFFFAOYSA-N
XLogP4.86
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015
[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]-(1H-pyrrol-3-yl)methanone
CID 141166162
(3-methylphenyl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7901076
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24818231
4-amino-5-chloro-2-[4-[3-(3-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl]benzonitrile
CID 174687284
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 91778429
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950

Frequently Asked Questions

What is the IUPAC name of bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone (CID 174684949) is bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone is COc1cccc(-c2noc(C)c2C(=O)c2c(-c3cccc(OC)c3)noc2C)c1.
What is the InChIKey of bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The InChIKey is OZJSOASZOWSCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-13-19(21(24-29-13)15-7-5-9-17(11-15)27-3)23(26)20-14(2)30-25-22(20)16-8-6-10-18(12-16)28-4/h5-12H,1-4H3.
What are the key properties of bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone has a molecular weight of 404.42 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 174684949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).