4-phenyl-2-prop-1-en-2-yl-1,3-oxazole

C12H11NO — CID 115016884

IUPAC4-phenyl-2-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1nc(-c2ccccc2)co1
InChIInChI=1S/C12H11NO/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-8H,1H2,2H3
InChIKeyURCTYYUUJVXUBA-UHFFFAOYSA-N
MW185.23 g/mol
LogP3.37
Rot. Bonds2

About 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole

4-phenyl-2-prop-1-en-2-yl-1,3-oxazole (PubChem CID 115016884) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-prop-1-en-2-yl-1,3-oxazole
PubChem CID115016884
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4-phenyl-2-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1nc(-c2ccccc2)co1
InChIInChI=1S/C12H11NO/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-8H,1H2,2H3
InChIKeyURCTYYUUJVXUBA-UHFFFAOYSA-N
XLogP3.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-phenyl-1,3-oxazol-2-amine
CID 71648010
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4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine
CID 71633051
2-(chloromethyl)-4-phenyl-1,3-oxazole
CID 15133748
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984
2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-(4-methylphenyl)-1,3-oxazole
CID 143438249
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
4-phenyl-2-pyridin-2-yl-1,3-oxazole
CID 18515932
2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
CID 21408523
2-(4-chlorophenyl)-4-phenyl-1,3-oxazole
CID 15358896
3-methyl-6-phenylimidazo[2,1-b][1,3]oxazole
CID 10703102

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole (CID 115016884) is 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole is C=C(C)c1nc(-c2ccccc2)co1.
What is the InChIKey of 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is URCTYYUUJVXUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9(2)12-13-11(8-14-12)10-6-4-3-5-7-10/h3-8H,1H2,2H3.
What are the key properties of 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole?
4-phenyl-2-prop-1-en-2-yl-1,3-oxazole has a molecular weight of 185.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 115016884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).