3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea

C25H25N3O6 — CID 46111732

IUPAC3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccco2)c(OC)c1
InChIInChI=1S/C25H25N3O6/c1-30-18-10-11-21(24(14-18)32-3)26-25(29)28(16-19-7-6-12-33-19)15-17-13-23(34-27-17)20-8-4-5-9-22(20)31-2/h4-14H,15-16H2,1-3H3,(H,26,29)
InChIKeyVQZWMQZSHVBKIO-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.19
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea

3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea (PubChem CID 46111732) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
PubChem CID46111732
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCOc1ccc(NC(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccco2)c(OC)c1
InChIInChI=1S/C25H25N3O6/c1-30-18-10-11-21(24(14-18)32-3)26-25(29)28(16-19-7-6-12-33-19)15-17-13-23(34-27-17)20-8-4-5-9-22(20)31-2/h4-14H,15-16H2,1-3H3,(H,26,29)
InChIKeyVQZWMQZSHVBKIO-UHFFFAOYSA-N
XLogP5.19
TPSA99.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dichloro-N-(furan-2-ylmethyl)-N-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46111591
1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea
CID 42697710
3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111699
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3602263
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 46111557
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044
3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 42822310
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea (CID 46111732) is 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea is COc1ccc(NC(=O)N(Cc2cc(-c3ccccc3OC)on2)Cc2ccco2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
The InChIKey is VQZWMQZSHVBKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-30-18-10-11-21(24(14-18)32-3)26-25(29)28(16-19-7-6-12-33-19)15-17-13-23(34-27-17)20-8-4-5-9-22(20)31-2/h4-14H,15-16H2,1-3H3,(H,26,29).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea has a molecular weight of 463.49 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea is sourced from PubChem (CID 46111732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).