2-chloro-4-(4-methylphenyl)-1,3-oxazole

C10H8ClNO — CID 21408388

IUPAC2-chloro-4-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2coc(Cl)n2)cc1
InChIInChI=1S/C10H8ClNO/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3
InChIKeyISUNKJNAOZHLRN-UHFFFAOYSA-N
MW193.63 g/mol
LogP3.30
Rot. Bonds1

About 2-chloro-4-(4-methylphenyl)-1,3-oxazole

2-chloro-4-(4-methylphenyl)-1,3-oxazole (PubChem CID 21408388) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-chloro-4-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(4-methylphenyl)-1,3-oxazole
PubChem CID21408388
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name2-chloro-4-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2coc(Cl)n2)cc1
InChIInChI=1S/C10H8ClNO/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3
InChIKeyISUNKJNAOZHLRN-UHFFFAOYSA-N
XLogP3.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-chloro-4-(4-methylphenyl)-1,3-oxazole (CID 21408388) is 2-chloro-4-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2coc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-4-(4-methylphenyl)-1,3-oxazole?
The InChIKey is ISUNKJNAOZHLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3.
What are the key properties of 2-chloro-4-(4-methylphenyl)-1,3-oxazole?
2-chloro-4-(4-methylphenyl)-1,3-oxazole has a molecular weight of 193.63 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 21408388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).