2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

C18H18ClNO — CID 12786630

IUPAC2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccccc1-c1ccc(Cl)cc1C1=NC(C)(C)CO1
InChIInChI=1S/C18H18ClNO/c1-12-6-4-5-7-14(12)15-9-8-13(19)10-16(15)17-20-18(2,3)11-21-17/h4-10H,11H2,1-3H3
InChIKeySPXWRPLLMGAVLC-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.87
Rot. Bonds2

About 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 12786630) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID12786630
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCc1ccccc1-c1ccc(Cl)cc1C1=NC(C)(C)CO1
InChIInChI=1S/C18H18ClNO/c1-12-6-4-5-7-14(12)15-9-8-13(19)10-16(15)17-20-18(2,3)11-21-17/h4-10H,11H2,1-3H3
InChIKeySPXWRPLLMGAVLC-UHFFFAOYSA-N
XLogP4.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 12786630) is 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is Cc1ccccc1-c1ccc(Cl)cc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is SPXWRPLLMGAVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-12-6-4-5-7-14(12)15-9-8-13(19)10-16(15)17-20-18(2,3)11-21-17/h4-10H,11H2,1-3H3.
What are the key properties of 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 299.80 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-methylphenyl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 12786630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).