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

C24H23N3O4 — CID 46111699

IUPAC3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCOc1ccc(-c2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)no2)cc1
InChIInChI=1S/C24H23N3O4/c1-29-21-11-9-19(10-12-21)23-14-20(26-31-23)16-27(17-22-8-5-13-30-22)24(28)25-15-18-6-3-2-4-7-18/h2-14H,15-17H2,1H3,(H,25,28)
InChIKeyBDCRRVOQSAQUOI-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.86
Rot. Bonds8

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

3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea (PubChem CID 46111699) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea.

Molecular Properties

Compound Name3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
PubChem CID46111699
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
SMILESCOc1ccc(-c2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)no2)cc1
InChIInChI=1S/C24H23N3O4/c1-29-21-11-9-19(10-12-21)23-14-20(26-31-23)16-27(17-22-8-5-13-30-22)24(28)25-15-18-6-3-2-4-7-18/h2-14H,15-17H2,1H3,(H,25,28)
InChIKeyBDCRRVOQSAQUOI-UHFFFAOYSA-N
XLogP4.86
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea with MolForge

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Related Compounds

3-fluoro-N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 42822310
N-(furan-2-ylmethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 46111557
N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 42822314
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111732
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
1-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 52906824
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5034332
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-2-yloxyacetamide
CID 16867168

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
The IUPAC name of 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea (CID 46111699) is 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea.
What is the SMILES notation for 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
The canonical SMILES for 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea is COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)no2)cc1.
What is the InChIKey of 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
The InChIKey is BDCRRVOQSAQUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-29-21-11-9-19(10-12-21)23-14-20(26-31-23)16-27(17-22-8-5-13-30-22)24(28)25-15-18-6-3-2-4-7-18/h2-14H,15-17H2,1H3,(H,25,28).
What are the key properties of 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea?
3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea has a molecular weight of 417.47 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea is sourced from PubChem (CID 46111699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).