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

C7H13NO — CID 20730304

IUPAC4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(C(C)C)=N1
InChIInChI=1S/C7H13NO/c1-5(2)7-8-6(3)4-9-7/h5-6H,4H2,1-3H3
InChIKeyLUQQPGFSMCQJLL-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.46
Rot. Bonds1

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

4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 20730304) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID20730304
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(C(C)C)=N1
InChIInChI=1S/C7H13NO/c1-5(2)7-8-6(3)4-9-7/h5-6H,4H2,1-3H3
InChIKeyLUQQPGFSMCQJLL-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 20730304) is 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole is CC1COC(C(C)C)=N1.
What is the InChIKey of 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is LUQQPGFSMCQJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-8-6(3)4-9-7/h5-6H,4H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole?
4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20730304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).