2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene

C14H17NO — CID 66616964

IUPAC2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene
SMILESC=C(C)C1=NCCO1.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H9NO/c1-2-8-6-4-3-5-7-8;1-5(2)6-7-3-4-8-6/h2-7H,1H2;1,3-4H2,2H3
InChIKeyCIZZWUZAQQELAQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.32
Rot. Bonds2

About 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene

2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene (PubChem CID 66616964) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene.

Molecular Properties

Compound Name2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene
PubChem CID66616964
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene
SMILESC=C(C)C1=NCCO1.C=Cc1ccccc1
InChIInChI=1S/C8H8.C6H9NO/c1-2-8-6-4-3-5-7-8;1-5(2)6-7-3-4-8-6/h2-7H,1H2;1,3-4H2,2H3
InChIKeyCIZZWUZAQQELAQ-UHFFFAOYSA-N
XLogP3.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene?
The IUPAC name of 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene (CID 66616964) is 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene.
What is the SMILES notation for 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene?
The canonical SMILES for 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene is C=C(C)C1=NCCO1.C=Cc1ccccc1.
What is the InChIKey of 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene?
The InChIKey is CIZZWUZAQQELAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H9NO/c1-2-8-6-4-3-5-7-8;1-5(2)6-7-3-4-8-6/h2-7H,1H2;1,3-4H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene?
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene has a molecular weight of 215.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene is sourced from PubChem (CID 66616964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).