[2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone

C22H25NO2 — CID 13433198

IUPAC[2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
SMILESCCCCc1cccc(C2=NC(C)(C)CO2)c1C(=O)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-4-5-10-16-13-9-14-18(21-23-22(2,3)15-25-21)19(16)20(24)17-11-7-6-8-12-17/h6-9,11-14H,4-5,10,15H2,1-3H3
InChIKeyRYWVFZKEBJORLT-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.82
Rot. Bonds6

About [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone

[2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone (PubChem CID 13433198) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
PubChem CID13433198
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone
SMILESCCCCc1cccc(C2=NC(C)(C)CO2)c1C(=O)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-4-5-10-16-13-9-14-18(21-23-22(2,3)15-25-21)19(16)20(24)17-11-7-6-8-12-17/h6-9,11-14H,4-5,10,15H2,1-3H3
InChIKeyRYWVFZKEBJORLT-UHFFFAOYSA-N
XLogP4.82
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone (CID 13433198) is [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone is CCCCc1cccc(C2=NC(C)(C)CO2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
The InChIKey is RYWVFZKEBJORLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-4-5-10-16-13-9-14-18(21-23-22(2,3)15-25-21)19(16)20(24)17-11-7-6-8-12-17/h6-9,11-14H,4-5,10,15H2,1-3H3.
What are the key properties of [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone?
[2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone has a molecular weight of 335.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 13433198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).