1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate

C19H17FN2O3 — CID 22279524

IUPAC1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccccc2F)c1NC(=O)OC(C)c1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-12-17(18(25-22-12)15-10-6-7-11-16(15)20)21-19(23)24-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,21,23)
InChIKeyWEONYABGRJYUFN-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.10
Rot. Bonds4

About 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate

1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 22279524) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID22279524
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccccc2F)c1NC(=O)OC(C)c1ccccc1
InChIInChI=1S/C19H17FN2O3/c1-12-17(18(25-22-12)15-10-6-7-11-16(15)20)21-19(23)24-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,21,23)
InChIKeyWEONYABGRJYUFN-UHFFFAOYSA-N
XLogP5.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate (CID 22279524) is 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate is Cc1noc(-c2ccccc2F)c1NC(=O)OC(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is WEONYABGRJYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12-17(18(25-22-12)15-10-6-7-11-16(15)20)21-19(23)24-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,21,23).
What are the key properties of 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 340.35 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl N-[5-(2-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 22279524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).