4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole

C11H10ClNO — CID 11160071

IUPAC4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C11H10ClNO/c1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChIKeyRXQHJPSGAKFUJN-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.61
Rot. Bonds1

About 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole

4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole (PubChem CID 11160071) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole
PubChem CID11160071
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole
SMILESCc1nc(-c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C11H10ClNO/c1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3
InChIKeyRXQHJPSGAKFUJN-UHFFFAOYSA-N
XLogP3.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole (CID 11160071) is 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole is Cc1nc(-c2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole?
The InChIKey is RXQHJPSGAKFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-11(13-8(2)14-7)9-3-5-10(12)6-4-9/h3-6H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole?
4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole has a molecular weight of 207.66 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 11160071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).