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

C10H10ClNO — CID 57033099

IUPAC3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESClc1cccc(CC2=CCON2)c1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-2-8(6-9)7-10-4-5-13-12-10/h1-4,6,12H,5,7H2
InChIKeySJLLKDODAYCQJN-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.30
Rot. Bonds2

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

3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole (PubChem CID 57033099) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole
PubChem CID57033099
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESClc1cccc(CC2=CCON2)c1
InChIInChI=1S/C10H10ClNO/c11-9-3-1-2-8(6-9)7-10-4-5-13-12-10/h1-4,6,12H,5,7H2
InChIKeySJLLKDODAYCQJN-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole (CID 57033099) is 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole is Clc1cccc(CC2=CCON2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is SJLLKDODAYCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-9-3-1-2-8(6-9)7-10-4-5-13-12-10/h1-4,6,12H,5,7H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 195.65 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57033099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).