2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole

C18H19NO — CID 17273976

IUPAC2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1C
InChIInChI=1S/C18H19NO/c1-11(2)14-7-8-17-16(10-14)19-18(20-17)15-6-5-12(3)13(4)9-15/h5-11H,1-4H3
InChIKeyKLVUQCDNQAJOFP-UHFFFAOYSA-N
MW265.36 g/mol
LogP5.24
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole

2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole (PubChem CID 17273976) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
PubChem CID17273976
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1C
InChIInChI=1S/C18H19NO/c1-11(2)14-7-8-17-16(10-14)19-18(20-17)15-6-5-12(3)13(4)9-15/h5-11H,1-4H3
InChIKeyKLVUQCDNQAJOFP-UHFFFAOYSA-N
XLogP5.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 91674215
5-(3,4-dimethylphenyl)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 4271036
N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 23908779
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carbaldehyde
CID 82159693
2-methyl-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23850230
5-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]-2-methylaniline
CID 40526857
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23766476
5-(3,4-dimethylphenyl)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]furan-2-carboxamide
CID 3558241

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole (CID 17273976) is 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole is Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole?
The InChIKey is KLVUQCDNQAJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11(2)14-7-8-17-16(10-14)19-18(20-17)15-6-5-12(3)13(4)9-15/h5-11H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole?
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole has a molecular weight of 265.36 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 17273976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).