1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea

C19H17N3O4 — CID 47093365

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESO=C(NCc1ccc2c(c1)OCO2)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H17N3O4/c23-19(20-10-13-6-7-16-18(8-13)25-12-24-16)21-11-15-9-17(26-22-15)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,20,21,23)
InChIKeyCBTTXONKRPOABP-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.07
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea

1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 47093365) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID47093365
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
SMILESO=C(NCc1ccc2c(c1)OCO2)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C19H17N3O4/c23-19(20-10-13-6-7-16-18(8-13)25-12-24-16)21-11-15-9-17(26-22-15)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,20,21,23)
InChIKeyCBTTXONKRPOABP-UHFFFAOYSA-N
XLogP3.07
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39444927
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
1-[2-(4-hydroxyphenyl)ethyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 122156014
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(R)-phenylsulfinyl]ethyl]urea
CID 95351385
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66164930
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea (CID 47093365) is 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is O=C(NCc1ccc2c(c1)OCO2)NCc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is CBTTXONKRPOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-19(20-10-13-6-7-16-18(8-13)25-12-24-16)21-11-15-9-17(26-22-15)14-4-2-1-3-5-14/h1-9H,10-12H2,(H2,20,21,23).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea?
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 351.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 47093365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).