[4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone

C17H12ClNO2 — CID 22009807

IUPAC[4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2nc(CCl)co2)cc1
InChIInChI=1S/C17H12ClNO2/c18-10-15-11-21-17(19-15)14-8-6-13(7-9-14)16(20)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyGDYCLNJLPNQWCA-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.31
Rot. Bonds4

About [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone

[4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone (PubChem CID 22009807) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone
PubChem CID22009807
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name[4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(-c2nc(CCl)co2)cc1
InChIInChI=1S/C17H12ClNO2/c18-10-15-11-21-17(19-15)14-8-6-13(7-9-14)16(20)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyGDYCLNJLPNQWCA-UHFFFAOYSA-N
XLogP4.31
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone (CID 22009807) is [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(-c2nc(CCl)co2)cc1.
What is the InChIKey of [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone?
The InChIKey is GDYCLNJLPNQWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-10-15-11-21-17(19-15)14-8-6-13(7-9-14)16(20)12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone?
[4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone has a molecular weight of 297.74 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 22009807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).