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

C10H19NO — CID 166764830

IUPAC4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole
SMILESCCCC1N=C(CC(C)C)CO1
InChIInChI=1S/C10H19NO/c1-4-5-10-11-9(7-12-10)6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyUKGIICHSUWCAFJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.63
Rot. Bonds4

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

4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole (PubChem CID 166764830) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole
PubChem CID166764830
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole
SMILESCCCC1N=C(CC(C)C)CO1
InChIInChI=1S/C10H19NO/c1-4-5-10-11-9(7-12-10)6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyUKGIICHSUWCAFJ-UHFFFAOYSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole (CID 166764830) is 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole is CCCC1N=C(CC(C)C)CO1.
What is the InChIKey of 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole?
The InChIKey is UKGIICHSUWCAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-10-11-9(7-12-10)6-8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole?
4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-propyl-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 166764830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).