1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea

C14H10ClN3O3 — CID 110350578

IUPAC1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C14H10ClN3O3/c15-8-4-6-9(7-5-8)16-13(19)17-10-2-1-3-11-12(10)21-14(20)18-11/h1-7H,(H,18,20)(H2,16,17,19)
InChIKeyKMKVKHUSAGDFFZ-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.42
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea

1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea (PubChem CID 110350578) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
PubChem CID110350578
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc2[nH]c(=O)oc12
InChIInChI=1S/C14H10ClN3O3/c15-8-4-6-9(7-5-8)16-13(19)17-10-2-1-3-11-12(10)21-14(20)18-11/h1-7H,(H,18,20)(H2,16,17,19)
InChIKeyKMKVKHUSAGDFFZ-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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Related Compounds

6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
CID 112522745
N-[2-[(4-chlorophenyl)carbamoylamino]-6-methylphenyl]-2-methylpropanamide
CID 6472575
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-(2-bromophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 50796687
6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
CID 167969035
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522739
2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
CID 4949332
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(4-chlorophenyl)-3-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]urea
CID 39072617
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1-benzofuran-2-carboxamide
CID 112522723
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea (CID 110350578) is 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc2[nH]c(=O)oc12.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
The InChIKey is KMKVKHUSAGDFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-8-4-6-9(7-5-8)16-13(19)17-10-2-1-3-11-12(10)21-14(20)18-11/h1-7H,(H,18,20)(H2,16,17,19).
What are the key properties of 1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea?
1-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-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-(4-chlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-7-yl)urea is sourced from PubChem (CID 110350578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).