1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea

C19H20N2O3 — CID 129397274

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
SMILESO=C(Nc1ccc2c(c1)CCO2)N[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(20-15-6-7-17-14(12-15)8-10-23-17)21-16-9-11-24-18(16)13-4-2-1-3-5-13/h1-7,12,16,18H,8-11H2,(H2,20,21,22)/t16-,18+/m1/s1
InChIKeyUIOARIITZWRPFA-AEFFLSMTSA-N
MW324.38 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea (PubChem CID 129397274) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
PubChem CID129397274
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
SMILESO=C(Nc1ccc2c(c1)CCO2)N[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19(20-15-6-7-17-14(12-15)8-10-23-17)21-16-9-11-24-18(16)13-4-2-1-3-5-13/h1-7,12,16,18H,8-11H2,(H2,20,21,22)/t16-,18+/m1/s1
InChIKeyUIOARIITZWRPFA-AEFFLSMTSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120673090
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-[(2S,3R)-2-pyridin-3-yloxolan-3-yl]urea
CID 136584166
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea (CID 129397274) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea is O=C(Nc1ccc2c(c1)CCO2)N[C@@H]1CCO[C@H]1c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
The InChIKey is UIOARIITZWRPFA-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(20-15-6-7-17-14(12-15)8-10-23-17)21-16-9-11-24-18(16)13-4-2-1-3-5-13/h1-7,12,16,18H,8-11H2,(H2,20,21,22)/t16-,18+/m1/s1.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea has a molecular weight of 324.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea is sourced from PubChem (CID 129397274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).