4-prop-2-enyl-1,2-benzoxazole

C10H9NO — CID 173364606

IUPAC4-prop-2-enyl-1,2-benzoxazole
SMILESC=CCc1cccc2oncc12
InChIInChI=1S/C10H9NO/c1-2-4-8-5-3-6-10-9(8)7-11-12-10/h2-3,5-7H,1,4H2
InChIKeySPEYFKONQBDAKX-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.56
Rot. Bonds2

About 4-prop-2-enyl-1,2-benzoxazole

4-prop-2-enyl-1,2-benzoxazole (PubChem CID 173364606) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-prop-2-enyl-1,2-benzoxazole.

Molecular Properties

Compound Name4-prop-2-enyl-1,2-benzoxazole
PubChem CID173364606
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name4-prop-2-enyl-1,2-benzoxazole
SMILESC=CCc1cccc2oncc12
InChIInChI=1S/C10H9NO/c1-2-4-8-5-3-6-10-9(8)7-11-12-10/h2-3,5-7H,1,4H2
InChIKeySPEYFKONQBDAKX-UHFFFAOYSA-N
XLogP2.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-prop-2-enylnaphthalen-1-ol
CID 139534699
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
5-phenyl-4-prop-2-enyl-1,2-oxazole
CID 174302799
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
trimethyl-(2-methyl-6-prop-2-enylphenoxy)silane
CID 19737589
4-prop-2-enyl-1,3-benzodioxol-2-one
CID 140551297
4-prop-2-enylxanthen-9-one
CID 19102968
1-prop-2-enyltetracene
CID 162689403
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
[2,6-bis(prop-2-enyl)phenyl] N,N-dimethylcarbamate
CID 518063
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1,2-benzoxazole?
The IUPAC name of 4-prop-2-enyl-1,2-benzoxazole (CID 173364606) is 4-prop-2-enyl-1,2-benzoxazole.
What is the SMILES notation for 4-prop-2-enyl-1,2-benzoxazole?
The canonical SMILES for 4-prop-2-enyl-1,2-benzoxazole is C=CCc1cccc2oncc12.
What is the InChIKey of 4-prop-2-enyl-1,2-benzoxazole?
The InChIKey is SPEYFKONQBDAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-8-5-3-6-10-9(8)7-11-12-10/h2-3,5-7H,1,4H2.
What are the key properties of 4-prop-2-enyl-1,2-benzoxazole?
4-prop-2-enyl-1,2-benzoxazole has a molecular weight of 159.19 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,2-benzoxazole is sourced from PubChem (CID 173364606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).