4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole

C22H20N2O2 — CID 91804006

IUPAC4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(-c2ccccc2-c2c(C)noc2C)cc1
InChIInChI=1S/C22H20N2O2/c1-13-21(15(3)25-23-13)18-11-9-17(10-12-18)19-7-5-6-8-20(19)22-14(2)24-26-16(22)4/h5-12H,1-4H3
InChIKeyCSSRZOINXFHSNC-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.90
Rot. Bonds3

About 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole

4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 91804006) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
PubChem CID91804006
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(-c2ccccc2-c2c(C)noc2C)cc1
InChIInChI=1S/C22H20N2O2/c1-13-21(15(3)25-23-13)18-11-9-17(10-12-18)19-7-5-6-8-20(19)22-14(2)24-26-16(22)4/h5-12H,1-4H3
InChIKeyCSSRZOINXFHSNC-UHFFFAOYSA-N
XLogP5.90
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
3-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 154305895
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)phenyl]phenol
CID 142719519

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole (CID 91804006) is 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc(-c2ccccc2-c2c(C)noc2C)cc1.
What is the InChIKey of 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CSSRZOINXFHSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-13-21(15(3)25-23-13)18-11-9-17(10-12-18)19-7-5-6-8-20(19)22-14(2)24-26-16(22)4/h5-12H,1-4H3.
What are the key properties of 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole?
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 344.41 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 91804006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).