1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea

C18H15F2N3O3 — CID 2815190

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1onc(-c2ccccc2)c1NC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2N3O3/c1-11-15(16(23-26-11)12-5-3-2-4-6-12)22-18(24)21-13-7-9-14(10-8-13)25-17(19)20/h2-10,17H,1H3,(H2,21,22,24)
InChIKeyMLDLMFUZKHMZMY-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.90
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea

1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea (PubChem CID 2815190) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
PubChem CID2815190
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
SMILESCc1onc(-c2ccccc2)c1NC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H15F2N3O3/c1-11-15(16(23-26-11)12-5-3-2-4-6-12)22-18(24)21-13-7-9-14(10-8-13)25-17(19)20/h2-10,17H,1H3,(H2,21,22,24)
InChIKeyMLDLMFUZKHMZMY-UHFFFAOYSA-N
XLogP4.90
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea (CID 2815190) is 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea is Cc1onc(-c2ccccc2)c1NC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
The InChIKey is MLDLMFUZKHMZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-11-15(16(23-26-11)12-5-3-2-4-6-12)22-18(24)21-13-7-9-14(10-8-13)25-17(19)20/h2-10,17H,1H3,(H2,21,22,24).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea?
1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea has a molecular weight of 359.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 2815190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).