1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea

C20H22N2O3 — CID 75478295

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea
SMILESO=C(Nc1ccc2c(c1)COC2)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H22N2O3/c23-20(21-17-7-6-15-12-24-13-16(15)10-17)22-18-8-9-25-19(11-18)14-4-2-1-3-5-14/h1-7,10,18-19H,8-9,11-13H2,(H2,21,22,23)
InChIKeyOJBTVEZXCPGMJM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.76
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea (PubChem CID 75478295) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea
PubChem CID75478295
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea
SMILESO=C(Nc1ccc2c(c1)COC2)NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H22N2O3/c23-20(21-17-7-6-15-12-24-13-16(15)10-17)22-18-8-9-25-19(11-18)14-4-2-1-3-5-14/h1-7,10,18-19H,8-9,11-13H2,(H2,21,22,23)
InChIKeyOJBTVEZXCPGMJM-UHFFFAOYSA-N
XLogP3.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
CID 75523226
1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
CID 99601199
1-[(2S,4R)-2-phenyloxan-4-yl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129429595
4-[[(2-phenyloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122010133
1-[2-(3-fluorophenyl)ethyl]-3-[(2R,4R)-2-phenyloxan-4-yl]urea
CID 99717246
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
5-[(2-phenyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 120699083
1-[(2S,4S)-2-phenyloxan-4-yl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 129381914
1-[(2R,4S)-2-phenyloxan-4-yl]-3-(2-propan-2-yloxyethyl)urea
CID 99622073
cis-(1R,3S)-2,2-dimethyl-3-[(2-phenyloxan-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122066668
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[(2S,3R)-2-phenyloxolan-3-yl]urea
CID 129397274
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea (CID 75478295) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea is O=C(Nc1ccc2c(c1)COC2)NC1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea?
The InChIKey is OJBTVEZXCPGMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(21-17-7-6-15-12-24-13-16(15)10-17)22-18-8-9-25-19(11-18)14-4-2-1-3-5-14/h1-7,10,18-19H,8-9,11-13H2,(H2,21,22,23).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea has a molecular weight of 338.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea is sourced from PubChem (CID 75478295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).