5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole

C10H10ClNO — CID 23329911

IUPAC5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccccc1CC1CN=CO1
InChIInChI=1S/C10H10ClNO/c11-10-4-2-1-3-8(10)5-9-6-12-7-13-9/h1-4,7,9H,5-6H2
InChIKeyADSAEULXRUWLDL-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.31
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole

5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 23329911) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID23329911
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccccc1CC1CN=CO1
InChIInChI=1S/C10H10ClNO/c11-10-4-2-1-3-8(10)5-9-6-12-7-13-9/h1-4,7,9H,5-6H2
InChIKeyADSAEULXRUWLDL-UHFFFAOYSA-N
XLogP2.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole (CID 23329911) is 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole is Clc1ccccc1CC1CN=CO1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ADSAEULXRUWLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-10-4-2-1-3-8(10)5-9-6-12-7-13-9/h1-4,7,9H,5-6H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole?
5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 195.65 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23329911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).