(4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone

C16H12ClNO2 — CID 135052831

IUPAC(4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1ON=C(c2ccccc2)C1Cl
InChIInChI=1S/C16H12ClNO2/c17-13-14(11-7-3-1-4-8-11)18-20-16(13)15(19)12-9-5-2-6-10-12/h1-10,13,16H
InChIKeyVBIJQHNTPNMICU-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.28
Rot. Bonds3

About (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone

(4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone (PubChem CID 135052831) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone
PubChem CID135052831
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name(4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1ON=C(c2ccccc2)C1Cl
InChIInChI=1S/C16H12ClNO2/c17-13-14(11-7-3-1-4-8-11)18-20-16(13)15(19)12-9-5-2-6-10-12/h1-10,13,16H
InChIKeyVBIJQHNTPNMICU-UHFFFAOYSA-N
XLogP3.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.28
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-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
The IUPAC name of (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone (CID 135052831) is (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone is O=C(c1ccccc1)C1ON=C(c2ccccc2)C1Cl.
What is the InChIKey of (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
The InChIKey is VBIJQHNTPNMICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-14(11-7-3-1-4-8-11)18-20-16(13)15(19)12-9-5-2-6-10-12/h1-10,13,16H.
What are the key properties of (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone?
(4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone has a molecular weight of 285.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-phenylmethanone is sourced from PubChem (CID 135052831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).