2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C15H14BrFN2O2 — CID 66968044

IUPAC2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cc(C2(CF)CC2)on1
InChIInChI=1S/C15H14BrFN2O2/c16-11-3-1-10(2-4-11)7-14(20)18-13-8-12(21-19-13)15(9-17)5-6-15/h1-4,8H,5-7,9H2,(H,18,19,20)
InChIKeyITFDNUUGDSZILX-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 66968044) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID66968044
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cc(C2(CF)CC2)on1
InChIInChI=1S/C15H14BrFN2O2/c16-11-3-1-10(2-4-11)7-14(20)18-13-8-12(21-19-13)15(9-17)5-6-15/h1-4,8H,5-7,9H2,(H,18,19,20)
InChIKeyITFDNUUGDSZILX-UHFFFAOYSA-N
XLogP3.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 66968044) is 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1cc(C2(CF)CC2)on1.
What is the InChIKey of 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is ITFDNUUGDSZILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-11-3-1-10(2-4-11)7-14(20)18-13-8-12(21-19-13)15(9-17)5-6-15/h1-4,8H,5-7,9H2,(H,18,19,20).
What are the key properties of 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[5-[1-(fluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 66968044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).