1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea

C15H19N3O5 — CID 97454506

IUPAC1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
SMILESCCC1=NO[C@@H](CNC(=O)Nc2cc3c(cc2OC)OCO3)C1
InChIInChI=1S/C15H19N3O5/c1-3-9-4-10(23-18-9)7-16-15(19)17-11-5-13-14(22-8-21-13)6-12(11)20-2/h5-6,10H,3-4,7-8H2,1-2H3,(H2,16,17,19)/t10-/m1/s1
InChIKeyYUIWUBIUZZECAE-SNVBAGLBSA-N
MW321.33 g/mol
LogP2.10
Rot. Bonds5

About 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea

1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea (PubChem CID 97454506) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea.

Molecular Properties

Compound Name1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
PubChem CID97454506
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
SMILESCCC1=NO[C@@H](CNC(=O)Nc2cc3c(cc2OC)OCO3)C1
InChIInChI=1S/C15H19N3O5/c1-3-9-4-10(23-18-9)7-16-15(19)17-11-5-13-14(22-8-21-13)6-12(11)20-2/h5-6,10H,3-4,7-8H2,1-2H3,(H2,16,17,19)/t10-/m1/s1
InChIKeyYUIWUBIUZZECAE-SNVBAGLBSA-N
XLogP2.10
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-(6-methoxy-1,3-benzodioxol-5-yl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97270309
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 125158191
1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172669827
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97434585
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194992
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 125172479
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea
CID 97446086
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 171909334
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 113217424
1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methylmethanamine
CID 51698766
1-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-methoxyphenyl)urea
CID 16920244
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3670112

Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea?
The IUPAC name of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea (CID 97454506) is 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea.
What is the SMILES notation for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea?
The canonical SMILES for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea is CCC1=NO[C@@H](CNC(=O)Nc2cc3c(cc2OC)OCO3)C1.
What is the InChIKey of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea?
The InChIKey is YUIWUBIUZZECAE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-3-9-4-10(23-18-9)7-16-15(19)17-11-5-13-14(22-8-21-13)6-12(11)20-2/h5-6,10H,3-4,7-8H2,1-2H3,(H2,16,17,19)/t10-/m1/s1.
What are the key properties of 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea?
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea has a molecular weight of 321.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(6-methoxy-1,3-benzodioxol-5-yl)urea is sourced from PubChem (CID 97454506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).