4,5-dihydro-1,3-oxazole;hydron

C3H6NO+ — CID 67518162

IUPAC4,5-dihydro-1,3-oxazole;hydron
SMILESC1=NCCO1.[H+]
InChIInChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/p+1
InChIKeyIMSODMZESSGVBE-UHFFFAOYSA-O
MW72.09 g/mol
LogP0.16
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;hydron

4,5-dihydro-1,3-oxazole;hydron (PubChem CID 67518162) has the molecular formula C3H6NO+ and a molecular weight of 72.09 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;hydron.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;hydron
PubChem CID67518162
Molecular FormulaC3H6NO+
Molecular Weight72.09 g/mol
Exact Mass72.04
IUPAC Name4,5-dihydro-1,3-oxazole;hydron
SMILESC1=NCCO1.[H+]
InChIInChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/p+1
InChIKeyIMSODMZESSGVBE-UHFFFAOYSA-O
XLogP0.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.09
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Selanyl oxazoline
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2-Bromooxazoline
CID 22420304
oxazoline-N-oxide
CID 85530950
Oxazolinyl copper
CID 88023282
CID 91182569
CID 91182569
4-Bromooxazoline
CID 123361543
Iodooxazoline
CID 129668819
5-Fluoro-4,5-dihydro-1,3-oxazole
CID 149159814
4,5-Dihydro-1,3-oxazole;ethane
CID 17915485

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;hydron?
The IUPAC name of 4,5-dihydro-1,3-oxazole;hydron (CID 67518162) is 4,5-dihydro-1,3-oxazole;hydron.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;hydron?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;hydron is C1=NCCO1.[H+].
What is the InChIKey of 4,5-dihydro-1,3-oxazole;hydron?
The InChIKey is IMSODMZESSGVBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2/p+1.
What are the key properties of 4,5-dihydro-1,3-oxazole;hydron?
4,5-dihydro-1,3-oxazole;hydron has a molecular weight of 72.09 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;hydron is sourced from PubChem (CID 67518162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).