1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea

C19H21N3O4 — CID 50797372

IUPAC1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C
InChIInChI=1S/C19H21N3O4/c1-4-25-16-8-6-5-7-14(16)21-18(23)20-13-9-10-15-17(11-13)26-19(24)22(15)12(2)3/h5-12H,4H2,1-3H3,(H2,20,21,23)
InChIKeyDWCBWDHKKNAZPO-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea

1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea (PubChem CID 50797372) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
PubChem CID50797372
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C
InChIInChI=1S/C19H21N3O4/c1-4-25-16-8-6-5-7-14(16)21-18(23)20-13-9-10-15-17(11-13)26-19(24)22(15)12(2)3/h5-12H,4H2,1-3H3,(H2,20,21,23)
InChIKeyDWCBWDHKKNAZPO-UHFFFAOYSA-N
XLogP4.22
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797230
1-(3-fluorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50796699
N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 50797257
4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
CID 50820635
2-(4-methylphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)acetamide
CID 50797086
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)-3-(5-propan-2-ylsulfonylpentyl)urea
CID 160739803
1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea (CID 50797372) is 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea is CCOc1ccccc1NC(=O)Nc1ccc2c(c1)oc(=O)n2C(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
The InChIKey is DWCBWDHKKNAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-25-16-8-6-5-7-14(16)21-18(23)20-13-9-10-15-17(11-13)26-19(24)22(15)12(2)3/h5-12H,4H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea?
1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea has a molecular weight of 355.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50797372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).