2-methyl-4,5-dihydro-1,3-oxazole;styrene

C12H15NO — CID 174703455

IUPAC2-methyl-4,5-dihydro-1,3-oxazole;styrene
SMILESC=Cc1ccccc1.CC1=NCCO1
InChIInChI=1S/C8H8.C4H7NO/c1-2-8-6-4-3-5-7-8;1-4-5-2-3-6-4/h2-7H,1H2;2-3H2,1H3
InChIKeyUZHHEKSHIICKJG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.76
Rot. Bonds1

About 2-methyl-4,5-dihydro-1,3-oxazole;styrene

2-methyl-4,5-dihydro-1,3-oxazole;styrene (PubChem CID 174703455) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1,3-oxazole;styrene.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1,3-oxazole;styrene
PubChem CID174703455
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-methyl-4,5-dihydro-1,3-oxazole;styrene
SMILESC=Cc1ccccc1.CC1=NCCO1
InChIInChI=1S/C8H8.C4H7NO/c1-2-8-6-4-3-5-7-8;1-4-5-2-3-6-4/h2-7H,1H2;2-3H2,1H3
InChIKeyUZHHEKSHIICKJG-UHFFFAOYSA-N
XLogP2.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazole;styrene?
The IUPAC name of 2-methyl-4,5-dihydro-1,3-oxazole;styrene (CID 174703455) is 2-methyl-4,5-dihydro-1,3-oxazole;styrene.
What is the SMILES notation for 2-methyl-4,5-dihydro-1,3-oxazole;styrene?
The canonical SMILES for 2-methyl-4,5-dihydro-1,3-oxazole;styrene is C=Cc1ccccc1.CC1=NCCO1.
What is the InChIKey of 2-methyl-4,5-dihydro-1,3-oxazole;styrene?
The InChIKey is UZHHEKSHIICKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H7NO/c1-2-8-6-4-3-5-7-8;1-4-5-2-3-6-4/h2-7H,1H2;2-3H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-1,3-oxazole;styrene?
2-methyl-4,5-dihydro-1,3-oxazole;styrene has a molecular weight of 189.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1,3-oxazole;styrene is sourced from PubChem (CID 174703455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).