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

C7H13NO — CID 155260962

IUPAC2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=NCC(C(C)C)O1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-8-6(3)9-7/h5,7H,4H2,1-3H3
InChIKeyBDBDTESOBAUHOU-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.46
Rot. Bonds1

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

2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 155260962) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID155260962
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=NCC(C(C)C)O1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-8-6(3)9-7/h5,7H,4H2,1-3H3
InChIKeyBDBDTESOBAUHOU-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 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 155260962) is 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole is CC1=NCC(C(C)C)O1.
What is the InChIKey of 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is BDBDTESOBAUHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-4-8-6(3)9-7/h5,7H,4H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-methyl-5-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 2-methyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155260962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).