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

C7H15NO — CID 70270374

IUPACbutane;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.CCCC
InChIInChI=1S/C4H10.C3H5NO/c1-3-4-2;1-2-5-3-4-1/h3-4H2,1-2H3;3H,1-2H2
InChIKeyZIIZMVQZWLCUAM-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.85
Rot. Bonds1

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

butane;4,5-dihydro-1,3-oxazole (PubChem CID 70270374) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is butane;4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Namebutane;4,5-dihydro-1,3-oxazole
PubChem CID70270374
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namebutane;4,5-dihydro-1,3-oxazole
SMILESC1=NCCO1.CCCC
InChIInChI=1S/C4H10.C3H5NO/c1-3-4-2;1-2-5-3-4-1/h3-4H2,1-2H3;3H,1-2H2
InChIKeyZIIZMVQZWLCUAM-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;4,5-dihydro-1,3-oxazole?
The IUPAC name of butane;4,5-dihydro-1,3-oxazole (CID 70270374) is butane;4,5-dihydro-1,3-oxazole.
What is the SMILES notation for butane;4,5-dihydro-1,3-oxazole?
The canonical SMILES for butane;4,5-dihydro-1,3-oxazole is C1=NCCO1.CCCC.
What is the InChIKey of butane;4,5-dihydro-1,3-oxazole?
The InChIKey is ZIIZMVQZWLCUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H5NO/c1-3-4-2;1-2-5-3-4-1/h3-4H2,1-2H3;3H,1-2H2.
What are the key properties of butane;4,5-dihydro-1,3-oxazole?
butane;4,5-dihydro-1,3-oxazole has a molecular weight of 129.20 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70270374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).