4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole

C25H21NO — CID 11810281

IUPAC4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc3ccccc3c2-c2cccc3ccccc23)=N1
InChIInChI=1S/C25H21NO/c1-25(2)16-27-24(26-25)22-15-14-18-9-4-6-12-20(18)23(22)21-13-7-10-17-8-3-5-11-19(17)21/h3-15H,16H2,1-2H3
InChIKeyIBLFCBTUBXGDPA-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.22
Rot. Bonds2

About 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole

4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole (PubChem CID 11810281) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole
PubChem CID11810281
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc3ccccc3c2-c2cccc3ccccc23)=N1
InChIInChI=1S/C25H21NO/c1-25(2)16-27-24(26-25)22-15-14-18-9-4-6-12-20(18)23(22)21-13-7-10-17-8-3-5-11-19(17)21/h3-15H,16H2,1-2H3
InChIKeyIBLFCBTUBXGDPA-UHFFFAOYSA-N
XLogP6.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 10848489
2-(1-methoxynaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
CID 21275658
2-(4-methoxy-2-naphthalen-1-ylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 101241587
2-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)naphthalen-1-yl]naphthalen-2-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 101238575
2-[4-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]benzo[a]anthracen-12-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250470
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
2-[2-[2-(4,5-dihydro-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,5-dihydro-1,3-oxazole;2-[2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methylphenyl]-3-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 159403755
2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 121223809
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]acetaldehyde
CID 12701133
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole (CID 11810281) is 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole is CC1(C)COC(c2ccc3ccccc3c2-c2cccc3ccccc23)=N1.
What is the InChIKey of 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole?
The InChIKey is IBLFCBTUBXGDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-25(2)16-27-24(26-25)22-15-14-18-9-4-6-12-20(18)23(22)21-13-7-10-17-8-3-5-11-19(17)21/h3-15H,16H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole has a molecular weight of 351.45 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole is sourced from PubChem (CID 11810281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).