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

C14H10ClN3O3 — CID 50796658

IUPAC1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H10ClN3O3/c15-8-2-1-3-9(6-8)16-13(19)17-10-4-5-11-12(7-10)21-14(20)18-11/h1-7H,(H,18,20)(H2,16,17,19)
InChIKeyNJYIPOJSNCOLJW-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.42
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (PubChem CID 50796658) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
PubChem CID50796658
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H10ClN3O3/c15-8-2-1-3-9(6-8)16-13(19)17-10-4-5-11-12(7-10)21-14(20)18-11/h1-7H,(H,18,20)(H2,16,17,19)
InChIKeyNJYIPOJSNCOLJW-UHFFFAOYSA-N
XLogP3.42
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea (CID 50796658) is 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
The InChIKey is NJYIPOJSNCOLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-8-2-1-3-9(6-8)16-13(19)17-10-4-5-11-12(7-10)21-14(20)18-11/h1-7H,(H,18,20)(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea?
1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea has a molecular weight of 303.71 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50796658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).