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

C15H15NO — CID 4299365

IUPAC4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C15H15NO/c1-15(2)10-17-14(16-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3
InChIKeyMFEWQHFSJBBEMK-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.40
Rot. Bonds1

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

4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole (PubChem CID 4299365) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
PubChem CID4299365
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc3ccccc23)=N1
InChIInChI=1S/C15H15NO/c1-15(2)10-17-14(16-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3
InChIKeyMFEWQHFSJBBEMK-UHFFFAOYSA-N
XLogP3.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-(1-naphthalen-1-ylnaphthalen-2-yl)-5H-1,3-oxazole
CID 11810281
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-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 10848489
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
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methoxyphenyl]acetaldehyde
CID 12701133
2-chloro-6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 121223809
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
4,4-dimethyl-2-(6-methyl-2-pyridinyl)-5H-1,3-oxazole
CID 162396736
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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole (CID 4299365) is 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole is CC1(C)COC(c2cccc3ccccc23)=N1.
What is the InChIKey of 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole?
The InChIKey is MFEWQHFSJBBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(2)10-17-14(16-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole?
4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole has a molecular weight of 225.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole is sourced from PubChem (CID 4299365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).