4-ethenyl-2-pentyl-1,3-benzoxazole

C14H17NO — CID 174821768

IUPAC4-ethenyl-2-pentyl-1,3-benzoxazole
SMILESC=Cc1cccc2oc(CCCCC)nc12
InChIInChI=1S/C14H17NO/c1-3-5-6-10-13-15-14-11(4-2)8-7-9-12(14)16-13/h4,7-9H,2-3,5-6,10H2,1H3
InChIKeyHRMIQURXLCXWTF-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.20
Rot. Bonds5

About 4-ethenyl-2-pentyl-1,3-benzoxazole

4-ethenyl-2-pentyl-1,3-benzoxazole (PubChem CID 174821768) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-ethenyl-2-pentyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-ethenyl-2-pentyl-1,3-benzoxazole
PubChem CID174821768
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-ethenyl-2-pentyl-1,3-benzoxazole
SMILESC=Cc1cccc2oc(CCCCC)nc12
InChIInChI=1S/C14H17NO/c1-3-5-6-10-13-15-14-11(4-2)8-7-9-12(14)16-13/h4,7-9H,2-3,5-6,10H2,1H3
InChIKeyHRMIQURXLCXWTF-UHFFFAOYSA-N
XLogP4.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-1,3-benzoxazole
CID 23425
4-azido-2-butyl-1,3-benzoxazole
CID 169325793
4-butyl-2-ethyl-1,3-benzoxazole
CID 174743684
2-butyl-4-isocyanato-1,3-benzoxazole
CID 169354350
2-(4-chlorobutyl)-4-methyl-1,3-benzoxazole
CID 61037199
1-ethenyl-2-pentylbenzene
CID 22171756
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
2-hexadec-7-enyl-[1,3]oxazolo[4,5-b]pyridine
CID 76650791
2-[(E)-octadec-9-enyl]-[1,3]oxazolo[4,5-b]pyridine
CID 22486198
2-(3-chloropropyl)-4-methyl-1,3-benzoxazole
CID 61037198
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-pentyl-1,3-benzoxazole?
The IUPAC name of 4-ethenyl-2-pentyl-1,3-benzoxazole (CID 174821768) is 4-ethenyl-2-pentyl-1,3-benzoxazole.
What is the SMILES notation for 4-ethenyl-2-pentyl-1,3-benzoxazole?
The canonical SMILES for 4-ethenyl-2-pentyl-1,3-benzoxazole is C=Cc1cccc2oc(CCCCC)nc12.
What is the InChIKey of 4-ethenyl-2-pentyl-1,3-benzoxazole?
The InChIKey is HRMIQURXLCXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-5-6-10-13-15-14-11(4-2)8-7-9-12(14)16-13/h4,7-9H,2-3,5-6,10H2,1H3.
What are the key properties of 4-ethenyl-2-pentyl-1,3-benzoxazole?
4-ethenyl-2-pentyl-1,3-benzoxazole has a molecular weight of 215.30 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-pentyl-1,3-benzoxazole is sourced from PubChem (CID 174821768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).