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

C9H11N3O — CID 161242788

IUPAC3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole
SMILESC=C(C)C1CC(n2ccnc2)=NO1
InChIInChI=1S/C9H11N3O/c1-7(2)8-5-9(11-13-8)12-4-3-10-6-12/h3-4,6,8H,1,5H2,2H3
InChIKeyVAFTWCSQRGBLMO-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.41
Rot. Bonds1

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

3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 161242788) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID161242788
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole
SMILESC=C(C)C1CC(n2ccnc2)=NO1
InChIInChI=1S/C9H11N3O/c1-7(2)8-5-9(11-13-8)12-4-3-10-6-12/h3-4,6,8H,1,5H2,2H3
InChIKeyVAFTWCSQRGBLMO-UHFFFAOYSA-N
XLogP1.41
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-imidazol-1-yl-5,6-dihydro-4H-oxazine
CID 67639318
5-imidazol-1-yl-2-prop-1-en-2-ylpyridine
CID 163257634
3-imidazol-1-yl-1,2,4,5-tetrazine
CID 86097321
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
1-(1-fluoroethenyl)imidazole
CID 174960352
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-imidazol-1-yl-2,6-bis(3-methyloxiran-2-yl)pyridine
CID 167086129
1-(3-tert-butyl-4-imidazol-1-ylpyrazol-1-yl)ethanone
CID 13361627
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
(4-imidazol-1-ylphenyl) acetate
CID 594823

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole (CID 161242788) is 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole is C=C(C)C1CC(n2ccnc2)=NO1.
What is the InChIKey of 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is VAFTWCSQRGBLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(2)8-5-9(11-13-8)12-4-3-10-6-12/h3-4,6,8H,1,5H2,2H3.
What are the key properties of 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole?
3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 177.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-5-prop-1-en-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 161242788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).