1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid

C19H15ClF2N2O3 — CID 68887226

IUPAC1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCc1noc(-c2ccc(F)cc2F)c1N(C(=O)O)C(C)c1ccccc1Cl
InChIInChI=1S/C19H15ClF2N2O3/c1-10-17(18(27-23-10)14-8-7-12(21)9-16(14)22)24(19(25)26)11(2)13-5-3-4-6-15(13)20/h3-9,11H,1-2H3,(H,25,26)
InChIKeyQIMVBNCNKWVWCT-UHFFFAOYSA-N
MW392.79 g/mol
LogP5.83
Rot. Bonds4

About 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid

1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid (PubChem CID 68887226) has the molecular formula C19H15ClF2N2O3 and a molecular weight of 392.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
PubChem CID68887226
Molecular FormulaC19H15ClF2N2O3
Molecular Weight392.79 g/mol
Exact Mass392.07
IUPAC Name1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
SMILESCc1noc(-c2ccc(F)cc2F)c1N(C(=O)O)C(C)c1ccccc1Cl
InChIInChI=1S/C19H15ClF2N2O3/c1-10-17(18(27-23-10)14-8-7-12(21)9-16(14)22)24(19(25)26)11(2)13-5-3-4-6-15(13)20/h3-9,11H,1-2H3,(H,25,26)
InChIKeyQIMVBNCNKWVWCT-UHFFFAOYSA-N
XLogP5.83
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.79
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The IUPAC name of 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid (CID 68887226) is 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The canonical SMILES for 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid is Cc1noc(-c2ccc(F)cc2F)c1N(C(=O)O)C(C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
The InChIKey is QIMVBNCNKWVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O3/c1-10-17(18(27-23-10)14-8-7-12(21)9-16(14)22)24(19(25)26)11(2)13-5-3-4-6-15(13)20/h3-9,11H,1-2H3,(H,25,26).
What are the key properties of 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid?
1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid has a molecular weight of 392.79 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethyl-[5-(2,4-difluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamic acid is sourced from PubChem (CID 68887226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).