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

C3H7NO2 — CID 141348251

IUPAC4,5-dihydro-1,3-oxazole;hydrate
SMILESC1=NCCO1.O
InChIInChI=1S/C3H5NO.H2O/c1-2-5-3-4-1;/h3H,1-2H2;1H2
InChIKeyBTWZGYYNCYRHLE-UHFFFAOYSA-N
MW89.09 g/mol
LogP-0.78
Rot. Bonds

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

4,5-dihydro-1,3-oxazole;hydrate (PubChem CID 141348251) has the molecular formula C3H7NO2 and a molecular weight of 89.09 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;hydrate.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;hydrate
PubChem CID141348251
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name4,5-dihydro-1,3-oxazole;hydrate
SMILESC1=NCCO1.O
InChIInChI=1S/C3H5NO.H2O/c1-2-5-3-4-1;/h3H,1-2H2;1H2
InChIKeyBTWZGYYNCYRHLE-UHFFFAOYSA-N
XLogP-0.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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copper;tris(4,5-dihydro-1,3-oxazole)
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CID 90953870
magnesium;4,5-dihydro-1,3-oxazole;dinitrate
CID 174951581
1,1'-biphenyl;4,5-dihydro-1,3-oxazole
CID 18473876
chromium;4,5-dihydro-1,3-oxazole;pyridine
CID 87149951
4,5-dihydro-1,3-oxazole;triazinane
CID 175056650
bis(4,5-dihydro-1,3-oxazole);1H-imidazole
CID 175045233
2-(chloromethyl)thiophene;4,5-dihydro-1,3-oxazole
CID 174973521
2,3-dihydroinden-1-one;4,5-dihydro-1,3-oxazole
CID 67971280
4,5-dihydro-1,3-oxazole;naphthalen-1-amine
CID 175147441
4,5-dihydro-1,3-oxazole;2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
CID 158489732

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;hydrate?
The IUPAC name of 4,5-dihydro-1,3-oxazole;hydrate (CID 141348251) is 4,5-dihydro-1,3-oxazole;hydrate.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;hydrate?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;hydrate is C1=NCCO1.O.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;hydrate?
The InChIKey is BTWZGYYNCYRHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.H2O/c1-2-5-3-4-1;/h3H,1-2H2;1H2.
What are the key properties of 4,5-dihydro-1,3-oxazole;hydrate?
4,5-dihydro-1,3-oxazole;hydrate has a molecular weight of 89.09 g/mol, XLogP of -0.78, 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;hydrate is sourced from PubChem (CID 141348251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).