4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole

C10H10ClNO — CID 13228175

IUPAC4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole
SMILESCC1(c2ccccc2)ON=CC1Cl
InChIInChI=1S/C10H10ClNO/c1-10(9(11)7-12-13-10)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyLSNLXPOWHFTAKL-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.53
Rot. Bonds1

About 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole

4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole (PubChem CID 13228175) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole
PubChem CID13228175
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole
SMILESCC1(c2ccccc2)ON=CC1Cl
InChIInChI=1S/C10H10ClNO/c1-10(9(11)7-12-13-10)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyLSNLXPOWHFTAKL-UHFFFAOYSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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sodium 3-methyl-3-phenyloxirane-2-carboxylate
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[(1S,2S,3S)-2-chloro-1-methyl-3-methylsulfanylcyclopropyl]benzene
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(5R)-5-(hydroxymethyl)-2-methyl-2-phenyloxolane-3,4-diol
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(3S,4R,5S)-4-bromo-3,5-dimethyl-5-phenyloxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole?
The IUPAC name of 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole (CID 13228175) is 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole.
What is the SMILES notation for 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole?
The canonical SMILES for 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole is CC1(c2ccccc2)ON=CC1Cl.
What is the InChIKey of 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole?
The InChIKey is LSNLXPOWHFTAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-10(9(11)7-12-13-10)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole?
4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole has a molecular weight of 195.65 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-5-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 13228175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).