5-phenyl-4-prop-2-enyl-1,2-oxazole

C12H11NO — CID 174302799

IUPAC5-phenyl-4-prop-2-enyl-1,2-oxazole
SMILESC=CCc1cnoc1-c1ccccc1
InChIInChI=1S/C12H11NO/c1-2-6-11-9-13-14-12(11)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2
InChIKeyUFRMBKSYOPZABC-UHFFFAOYSA-N
MW185.23 g/mol
LogP3.07
Rot. Bonds3

About 5-phenyl-4-prop-2-enyl-1,2-oxazole

5-phenyl-4-prop-2-enyl-1,2-oxazole (PubChem CID 174302799) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-phenyl-4-prop-2-enyl-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-4-prop-2-enyl-1,2-oxazole
PubChem CID174302799
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-phenyl-4-prop-2-enyl-1,2-oxazole
SMILESC=CCc1cnoc1-c1ccccc1
InChIInChI=1S/C12H11NO/c1-2-6-11-9-13-14-12(11)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2
InChIKeyUFRMBKSYOPZABC-UHFFFAOYSA-N
XLogP3.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.07
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

4-(5-phenyl-1,2-oxazol-4-yl)butanoic acid
CID 22221097
4-[(5-phenyl-1,2-oxazol-4-yl)methyl]morpholine
CID 53015294
5-phenyl-1,2-oxazol-4-amine
CID 45117984
4-prop-2-enyl-1,2-benzoxazole
CID 173364606
2,5-diphenyl-4-prop-2-enyl-1,3-oxazole
CID 10869047
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582
2-isothiocyanato-1-phenyl-3-prop-2-enylbenzene
CID 87996745
2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one
CID 141233837
4-(chloromethyl)-5-pyridin-3-yl-1,2-oxazole
CID 65240203
2-phenyl-3-prop-2-enyl-1-benzofuran
CID 15441762
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-prop-2-enyl-1,2-oxazole?
The IUPAC name of 5-phenyl-4-prop-2-enyl-1,2-oxazole (CID 174302799) is 5-phenyl-4-prop-2-enyl-1,2-oxazole.
What is the SMILES notation for 5-phenyl-4-prop-2-enyl-1,2-oxazole?
The canonical SMILES for 5-phenyl-4-prop-2-enyl-1,2-oxazole is C=CCc1cnoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-4-prop-2-enyl-1,2-oxazole?
The InChIKey is UFRMBKSYOPZABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-6-11-9-13-14-12(11)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2.
What are the key properties of 5-phenyl-4-prop-2-enyl-1,2-oxazole?
5-phenyl-4-prop-2-enyl-1,2-oxazole has a molecular weight of 185.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-prop-2-enyl-1,2-oxazole is sourced from PubChem (CID 174302799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).