4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole

C22H21NO — CID 20612808

IUPAC4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole
SMILESCc1c(C)c(C)c2oc(-c3ccc(C)c4ccccc34)nc2c1C
InChIInChI=1S/C22H21NO/c1-12-10-11-19(18-9-7-6-8-17(12)18)22-23-20-15(4)13(2)14(3)16(5)21(20)24-22/h6-11H,1-5H3
InChIKeyFYHFIOCLWXCDCR-UHFFFAOYSA-N
MW315.42 g/mol
LogP6.19
Rot. Bonds1

About 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole

4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole (PubChem CID 20612808) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole
PubChem CID20612808
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole
SMILESCc1c(C)c(C)c2oc(-c3ccc(C)c4ccccc34)nc2c1C
InChIInChI=1S/C22H21NO/c1-12-10-11-19(18-9-7-6-8-17(12)18)22-23-20-15(4)13(2)14(3)16(5)21(20)24-22/h6-11H,1-5H3
InChIKeyFYHFIOCLWXCDCR-UHFFFAOYSA-N
XLogP6.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
CID 122368664
2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
CID 82232746
2,4-dichloro-6-(4-methylnaphthalen-1-yl)-1,3,5-triazine
CID 71361703
9,10-dimethylanthracene;1,4-dimethylnaphthalene;methane
CID 160811650
4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
CID 82231793
4,6-dibromo-2-(2,4-dimethylphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 95910813
trimethyl-[4-[10-(4-methylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]silane
CID 59861211
2-(4-methylnaphthalen-1-yl)-9-[7-[9-(4-methylnaphthalen-1-yl)-1,10-phenanthrolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 59010407
7-bromo-2-(5-bromonaphthalen-1-yl)-5,6-dimethyl-1,3-benzoxazole
CID 95910719
2-(2-methylphenyl)-1,3-benzoxazol-7-ol
CID 84689691
2-(4-methylnaphthalen-1-yl)phenol
CID 53405208
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole?
The IUPAC name of 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole (CID 20612808) is 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole?
The canonical SMILES for 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole is Cc1c(C)c(C)c2oc(-c3ccc(C)c4ccccc34)nc2c1C.
What is the InChIKey of 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole?
The InChIKey is FYHFIOCLWXCDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-12-10-11-19(18-9-7-6-8-17(12)18)22-23-20-15(4)13(2)14(3)16(5)21(20)24-22/h6-11H,1-5H3.
What are the key properties of 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole?
4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole has a molecular weight of 315.42 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 20612808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).