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

C12H13FN2O2 — CID 154713500

IUPACN-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C1=NCC(CF)O1
InChIInChI=1S/C12H13FN2O2/c1-8(16)15-11-5-3-2-4-10(11)12-14-7-9(6-13)17-12/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKeyRRPSEVCKHXANTJ-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.76
Rot. Bonds3

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

N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide (PubChem CID 154713500) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide
PubChem CID154713500
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C1=NCC(CF)O1
InChIInChI=1S/C12H13FN2O2/c1-8(16)15-11-5-3-2-4-10(11)12-14-7-9(6-13)17-12/h2-5,9H,6-7H2,1H3,(H,15,16)
InChIKeyRRPSEVCKHXANTJ-UHFFFAOYSA-N
XLogP1.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide (CID 154713500) is N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccccc1C1=NCC(CF)O1.
What is the InChIKey of N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide?
The InChIKey is RRPSEVCKHXANTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-8(16)15-11-5-3-2-4-10(11)12-14-7-9(6-13)17-12/h2-5,9H,6-7H2,1H3,(H,15,16).
What are the key properties of N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide?
N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide has a molecular weight of 236.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 154713500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).