2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole

C14H17NO — CID 175229268

IUPAC2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC=CCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C14H17NO/c1-2-3-4-5-12-6-8-13(9-7-12)14-15-10-11-16-14/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyQCGDWARJHQXDRT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole

2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 175229268) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID175229268
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC=CCCc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C14H17NO/c1-2-3-4-5-12-6-8-13(9-7-12)14-15-10-11-16-14/h2-3,6-9H,4-5,10-11H2,1H3
InChIKeyQCGDWARJHQXDRT-UHFFFAOYSA-N
XLogP2.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.97
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

1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
1-pent-3-enyl-4-propylbenzene
CID 72599491
2-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propylsulfanyl]acetic acid
CID 102404170
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 101158945
pent-3-enylbenzene
CID 519421
2-[4-(4-bromobut-2-enoxy)phenyl]-4,5-dihydro-1,3-oxazole
CID 54407903
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
2-[4-(pyrrolidin-3-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 84793711

Frequently Asked Questions

What is the IUPAC name of 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole (CID 175229268) is 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole is CC=CCCc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QCGDWARJHQXDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-5-12-6-8-13(9-7-12)14-15-10-11-16-14/h2-3,6-9H,4-5,10-11H2,1H3.
What are the key properties of 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole?
2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pent-3-enylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175229268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).