1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea

C15H15N3O3 — CID 162459049

IUPAC1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
SMILESCc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3=O)o1
InChIInChI=1S/C15H15N3O3/c1-9-2-4-12(21-9)8-17-15(20)18-11-3-5-13-10(6-11)7-16-14(13)19/h2-6H,7-8H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyDWWFZRGOYAWLTP-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.15
Rot. Bonds3

About 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea

1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea (PubChem CID 162459049) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
PubChem CID162459049
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
SMILESCc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3=O)o1
InChIInChI=1S/C15H15N3O3/c1-9-2-4-12(21-9)8-17-15(20)18-11-3-5-13-10(6-11)7-16-14(13)19/h2-6H,7-8H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyDWWFZRGOYAWLTP-UHFFFAOYSA-N
XLogP2.15
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]urea
CID 171851978
1-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-ylurea
CID 74228702
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62524083
2-bromo-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 115296876
3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62523742
2-methyl-N-(1-oxo-2,3-dihydroisoindol-5-yl)propanamide
CID 58181448
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
CID 62524269
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 166428389
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
1-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpropyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 166532367
4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 72871951
1-[(4-methoxyphenyl)methyl]-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524954

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea (CID 162459049) is 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea is Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3=O)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
The InChIKey is DWWFZRGOYAWLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-2-4-12(21-9)8-17-15(20)18-11-3-5-13-10(6-11)7-16-14(13)19/h2-6H,7-8H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea?
1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea has a molecular weight of 285.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea is sourced from PubChem (CID 162459049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).