1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea

C15H15N3O3S — CID 24528932

IUPAC1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCc1cc(NC(=O)N(Cc2ccco2)Cc2cccs2)no1
InChIInChI=1S/C15H15N3O3S/c1-11-8-14(17-21-11)16-15(19)18(9-12-4-2-6-20-12)10-13-5-3-7-22-13/h2-8H,9-10H2,1H3,(H,16,17,19)
InChIKeyJINGYADQEPVPNY-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.87
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea

1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 24528932) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea
PubChem CID24528932
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCc1cc(NC(=O)N(Cc2ccco2)Cc2cccs2)no1
InChIInChI=1S/C15H15N3O3S/c1-11-8-14(17-21-11)16-15(19)18(9-12-4-2-6-20-12)10-13-5-3-7-22-13/h2-8H,9-10H2,1H3,(H,16,17,19)
InChIKeyJINGYADQEPVPNY-UHFFFAOYSA-N
XLogP3.87
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 24528930
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
1-cyclopentyl-1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51105727
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea (CID 24528932) is 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea is Cc1cc(NC(=O)N(Cc2ccco2)Cc2cccs2)no1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is JINGYADQEPVPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11-8-14(17-21-11)16-15(19)18(9-12-4-2-6-20-12)10-13-5-3-7-22-13/h2-8H,9-10H2,1H3,(H,16,17,19).
What are the key properties of 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea?
1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 317.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 24528932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).