2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole

C10H9ClFNO — CID 164676643

IUPAC2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFCC1CN=C(c2ccccc2Cl)O1
InChIInChI=1S/C10H9ClFNO/c11-9-4-2-1-3-8(9)10-13-6-7(5-12)14-10/h1-4,7H,5-6H2
InChIKeyNFBHLWAHJUTXOV-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole

2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 164676643) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID164676643
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFCC1CN=C(c2ccccc2Cl)O1
InChIInChI=1S/C10H9ClFNO/c11-9-4-2-1-3-8(9)10-13-6-7(5-12)14-10/h1-4,7H,5-6H2
InChIKeyNFBHLWAHJUTXOV-UHFFFAOYSA-N
XLogP2.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole (CID 164676643) is 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole is FCC1CN=C(c2ccccc2Cl)O1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NFBHLWAHJUTXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-9-4-2-1-3-8(9)10-13-6-7(5-12)14-10/h1-4,7H,5-6H2.
What are the key properties of 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 213.64 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164676643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).