1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea

C11H10ClN3O3 — CID 108811787

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-17-9-3-2-7(6-8(9)12)13-11(16)14-10-4-5-18-15-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyGGBOMZXKEDAXLN-UHFFFAOYSA-N
MW267.67 g/mol
LogP2.98
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea

1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea (PubChem CID 108811787) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
PubChem CID108811787
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2ccon2)cc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-17-9-3-2-7(6-8(9)12)13-11(16)14-10-4-5-18-15-10/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyGGBOMZXKEDAXLN-UHFFFAOYSA-N
XLogP2.98
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465329
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
1-(4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6470703
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
1-(3-chloro-4-methoxyphenyl)-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777590
1-(3-methylphenyl)-3-(1,2-oxazol-3-yl)urea
CID 108811855

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea (CID 108811787) is 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea is COc1ccc(NC(=O)Nc2ccon2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea?
The InChIKey is GGBOMZXKEDAXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-17-9-3-2-7(6-8(9)12)13-11(16)14-10-4-5-18-15-10/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea?
1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea has a molecular weight of 267.67 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108811787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).