1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

C14H9Cl2N3O3 — CID 155113953

IUPAC1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H9Cl2N3O3/c15-9-3-1-7(5-10(9)16)17-13(20)18-8-2-4-11-12(6-8)22-14(21)19-11/h1-6H,(H,19,21)(H2,17,18,20)
InChIKeyROSGCGUOELPMIS-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.07
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea

1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (PubChem CID 155113953) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
PubChem CID155113953
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H9Cl2N3O3/c15-9-3-1-7(5-10(9)16)17-13(20)18-8-2-4-11-12(6-8)22-14(21)19-11/h1-6H,(H,19,21)(H2,17,18,20)
InChIKeyROSGCGUOELPMIS-UHFFFAOYSA-N
XLogP4.07
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 50796687
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
1-benzyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411881
1-(3-methylbutyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 110411149
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
1-(3,4-dichlorophenyl)-3-(2,4-dioxo-1H-pyrimidin-6-yl)urea
CID 27102156
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522925

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (CID 155113953) is 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The InChIKey is ROSGCGUOELPMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-9-3-1-7(5-10(9)16)17-13(20)18-8-2-4-11-12(6-8)22-14(21)19-11/h1-6H,(H,19,21)(H2,17,18,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea has a molecular weight of 338.15 g/mol, XLogP of 4.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 155113953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).