1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea

C18H18Cl2N4O2 — CID 67156315

About 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea

1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 67156315) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

• Compound Name: 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea
• PubChem CID: 67156315
• Molecular Formula: C18H18Cl2N4O2
• Molecular Weight: 393.27 g/mol
• Exact Mass: 392.08
• IUPAC Name: 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea
• SMILES: NC1=NC(CCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CO1
• InChI: InChI=1S/C18H18Cl2N4O2/c19-15-8-7-13(9-16(15)20)24-18(25)23-12-4-1-11(2-5-12)3-6-14-10-26-17(21)22-14/h1-2,4-5,7-9,14H,3,6,10H2,(H2,21,22)(H2,23,24,25)
• InChIKey: HTTZNTVKMRMCFW-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 88.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.27
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea?

The IUPAC name of 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea (CID 67156315) is 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea.

What is the SMILES notation for 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea?

The canonical SMILES for 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea is NC1=NC(CCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CO1.

What is the InChIKey of 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea?

The InChIKey is HTTZNTVKMRMCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c19-15-8-7-13(9-16(15)20)24-18(25)23-12-4-1-11(2-5-12)3-6-14-10-26-17(21)22-14/h1-2,4-5,7-9,14H,3,6,10H2,(H2,21,22)(H2,23,24,25).

What are the key properties of 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea?

1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 393.27 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 67156315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).