5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole

C19H21NO — CID 138644732

IUPAC5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole
SMILESCC(C)c1ccc(CC(C)c2ccc3oncc3c2)cc1
InChIInChI=1S/C19H21NO/c1-13(2)16-6-4-15(5-7-16)10-14(3)17-8-9-19-18(11-17)12-20-21-19/h4-9,11-14H,10H2,1-3H3
InChIKeyOHHBGWNJAIRALV-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.30
Rot. Bonds4

About 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole

5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole (PubChem CID 138644732) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole
PubChem CID138644732
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole
SMILESCC(C)c1ccc(CC(C)c2ccc3oncc3c2)cc1
InChIInChI=1S/C19H21NO/c1-13(2)16-6-4-15(5-7-16)10-14(3)17-8-9-19-18(11-17)12-20-21-19/h4-9,11-14H,10H2,1-3H3
InChIKeyOHHBGWNJAIRALV-UHFFFAOYSA-N
XLogP5.30
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-propan-2-ylphenyl)-1,2-benzoxazole
CID 146554947
2-(1,2-benzoxazol-6-yl)propan-1-amine
CID 82599064
3-(1,2-benzoxazol-5-yl)propan-1-ol
CID 117277494
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline
CID 162748529
3-tert-butyl-6-(2-naphthalen-2-ylpropyl)isoquinoline
CID 167048597
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
6-(difluoromethyl)-1,2-benzoxazole
CID 84653295
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,4-bis[1-(4-hydroxyphenyl)propan-2-yl]phenol
CID 69188652

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole?
The IUPAC name of 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole (CID 138644732) is 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole.
What is the SMILES notation for 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole?
The canonical SMILES for 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole is CC(C)c1ccc(CC(C)c2ccc3oncc3c2)cc1.
What is the InChIKey of 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole?
The InChIKey is OHHBGWNJAIRALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(2)16-6-4-15(5-7-16)10-14(3)17-8-9-19-18(11-17)12-20-21-19/h4-9,11-14H,10H2,1-3H3.
What are the key properties of 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole?
5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole has a molecular weight of 279.38 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,2-benzoxazole is sourced from PubChem (CID 138644732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).