3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole

C7H13NO — CID 147593633

IUPAC3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1=NOCC1
InChIInChI=1S/C7H13NO/c1-6(2)5-7-3-4-9-8-7/h6H,3-5H2,1-2H3
InChIKeyFYTNORXFGVBGFP-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds2

About 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole

3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (PubChem CID 147593633) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
PubChem CID147593633
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
SMILESCC(C)CC1=NOCC1
InChIInChI=1S/C7H13NO/c1-6(2)5-7-3-4-9-8-7/h6H,3-5H2,1-2H3
InChIKeyFYTNORXFGVBGFP-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole (CID 147593633) is 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is CC(C)CC1=NOCC1.
What is the InChIKey of 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is FYTNORXFGVBGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)5-7-3-4-9-8-7/h6H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole?
3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 147593633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).