5-propan-2-yl-4,5-dihydro-1,3-oxazole

C6H11NO — CID 58473795

IUPAC5-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1CN=CO1
InChIInChI=1S/C6H11NO/c1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3
InChIKeyYNTAVEUNRBDOJA-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.07
Rot. Bonds1

About 5-propan-2-yl-4,5-dihydro-1,3-oxazole

5-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 58473795) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID58473795
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1CN=CO1
InChIInChI=1S/C6H11NO/c1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3
InChIKeyYNTAVEUNRBDOJA-UHFFFAOYSA-N
XLogP1.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Tert-butyl-4,5-dihydro-1,3-oxazole
CID 23383502
5-Ethyl-4,5-dihydro-1,3-oxazole
CID 54353965
(5S,6S)-5,6-dimethyl-5,6-dihydro-4H-1,3-oxazine
CID 59584699
5-methyl-5-propan-2-yl-4H-1,3-oxazole
CID 68101719
5-ethyl-5-methyl-4H-1,3-oxazole
CID 126686768
5-Methyl-4,5-dihydro-1,3-oxazole;propane
CID 142062997
Ethane;5-methyl-4,5-dihydro-1,3-oxazole
CID 142964043
2-Methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 155260962
2-Chloro-5-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 84071468
1-Isocyanato-2-methoxy-3-methylbutane
CID 105428461

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 58473795) is 5-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1CN=CO1.
What is the InChIKey of 5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is YNTAVEUNRBDOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)6-3-7-4-8-6/h4-6H,3H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5-dihydro-1,3-oxazole?
5-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 58473795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).