1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea

C18H16ClN3O4 — CID 110402667

IUPAC1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea
SMILESCOc1ccc(-c2cnoc2NC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H16ClN3O4/c1-24-15-7-6-11(8-16(15)25-2)14-10-20-26-17(14)22-18(23)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H2,21,22,23)
InChIKeyLGOIQMPXOQELRN-UHFFFAOYSA-N
MW373.80 g/mol
LogP4.66
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea

1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea (PubChem CID 110402667) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea
PubChem CID110402667
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea
SMILESCOc1ccc(-c2cnoc2NC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H16ClN3O4/c1-24-15-7-6-11(8-16(15)25-2)14-10-20-26-17(14)22-18(23)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H2,21,22,23)
InChIKeyLGOIQMPXOQELRN-UHFFFAOYSA-N
XLogP4.66
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-phenylurea
CID 110402542
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
CID 110402543
3,4-dimethoxy-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402230
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 110402676
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
N-(3-chlorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164675
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-chlorophenyl)urea
CID 69056238
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea (CID 110402667) is 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea is COc1ccc(-c2cnoc2NC(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea?
The InChIKey is LGOIQMPXOQELRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-24-15-7-6-11(8-16(15)25-2)14-10-20-26-17(14)22-18(23)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea?
1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea has a molecular weight of 373.80 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea is sourced from PubChem (CID 110402667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).