1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

C13H14Cl2N4O3 — CID 111117190

IUPAC1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)NCC(O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O3/c1-7-18-12(22-19-7)6-17-13(21)16-5-11(20)9-3-2-8(14)4-10(9)15/h2-4,11,20H,5-6H2,1H3,(H2,16,17,21)
InChIKeyRDJXNOLJQWKKBR-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.22
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea

1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 111117190) has the molecular formula C13H14Cl2N4O3 and a molecular weight of 345.19 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID111117190
Molecular FormulaC13H14Cl2N4O3
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1noc(CNC(=O)NCC(O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N4O3/c1-7-18-12(22-19-7)6-17-13(21)16-5-11(20)9-3-2-8(14)4-10(9)15/h2-4,11,20H,5-6H2,1H3,(H2,16,17,21)
InChIKeyRDJXNOLJQWKKBR-UHFFFAOYSA-N
XLogP2.22
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60719365
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 111115673
N-[(2,4-dichlorophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86931665
N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide
CID 84584328
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea
CID 60543591
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111970018
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111310404
5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 61053482
1-(2,5-dichlorophenoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014593
4-amino-3,5-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 82832642

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 111117190) is 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1noc(CNC(=O)NCC(O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is RDJXNOLJQWKKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O3/c1-7-18-12(22-19-7)6-17-13(21)16-5-11(20)9-3-2-8(14)4-10(9)15/h2-4,11,20H,5-6H2,1H3,(H2,16,17,21).
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 345.19 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 111117190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).