1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C21H28N4O3 — CID 167805269

IUPAC1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cc(-c3ccc4c(c3)CCO4)on2)CC(C)(C)N1
InChIInChI=1S/C21H28N4O3/c1-20(2)11-15(12-21(3,4)25-20)22-19(26)23-18-10-17(28-24-18)13-5-6-16-14(9-13)7-8-27-16/h5-6,9-10,15,25H,7-8,11-12H2,1-4H3,(H2,22,23,24,26)
InChIKeyGXBKOKCFFLHEJJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.71
Rot. Bonds3

About 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 167805269) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID167805269
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2cc(-c3ccc4c(c3)CCO4)on2)CC(C)(C)N1
InChIInChI=1S/C21H28N4O3/c1-20(2)11-15(12-21(3,4)25-20)22-19(26)23-18-10-17(28-24-18)13-5-6-16-14(9-13)7-8-27-16/h5-6,9-10,15,25H,7-8,11-12H2,1-4H3,(H2,22,23,24,26)
InChIKeyGXBKOKCFFLHEJJ-UHFFFAOYSA-N
XLogP3.71
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1-benzofuran-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 71709657
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 116861912
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424384
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155536349
5-(4,4-difluoropyrrolidin-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 120892327
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 144760922
1-(2,3-dihydro-1-benzofuran-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 167948744
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 167805269) is 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)Nc2cc(-c3ccc4c(c3)CCO4)on2)CC(C)(C)N1.
What is the InChIKey of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is GXBKOKCFFLHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-20(2)11-15(12-21(3,4)25-20)22-19(26)23-18-10-17(28-24-18)13-5-6-16-14(9-13)7-8-27-16/h5-6,9-10,15,25H,7-8,11-12H2,1-4H3,(H2,22,23,24,26).
What are the key properties of 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 384.48 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 167805269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).