2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole

C17H19NO — CID 174254475

IUPAC2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole
SMILESCC(C)(C)c1ccccc1-c1nc2c(o1)C=CCC2
InChIInChI=1S/C17H19NO/c1-17(2,3)13-9-5-4-8-12(13)16-18-14-10-6-7-11-15(14)19-16/h4-5,7-9,11H,6,10H2,1-3H3
InChIKeyCHMCFQIYYHXBNH-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.60
Rot. Bonds1

About 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole

2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole (PubChem CID 174254475) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole
PubChem CID174254475
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole
SMILESCC(C)(C)c1ccccc1-c1nc2c(o1)C=CCC2
InChIInChI=1S/C17H19NO/c1-17(2,3)13-9-5-4-8-12(13)16-18-14-10-6-7-11-15(14)19-16/h4-5,7-9,11H,6,10H2,1-3H3
InChIKeyCHMCFQIYYHXBNH-UHFFFAOYSA-N
XLogP4.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4,5-dihydro-1,3-benzoxazole
CID 123308779
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431
2-[4-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]phenyl]-4,5-dihydro-1,3-benzoxazole
CID 89024209
5-(2-tert-butylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572364
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363
[4-[3-(1,3-benzoxazol-2-yl)benzoyl]piperazin-1-yl]-[3-(4,5-dihydro-1,3-benzoxazol-2-yl)phenyl]methanone
CID 148848615
2,4-bis(2-tert-butylphenyl)-6-methyl-1,3,5-triazine
CID 168805971
methyl 5-(2-tert-butylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618883
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
CID 175472927
CID 175472927

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole (CID 174254475) is 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole is CC(C)(C)c1ccccc1-c1nc2c(o1)C=CCC2.
What is the InChIKey of 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole?
The InChIKey is CHMCFQIYYHXBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)13-9-5-4-8-12(13)16-18-14-10-6-7-11-15(14)19-16/h4-5,7-9,11H,6,10H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole?
2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole has a molecular weight of 253.34 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 174254475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).