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

C9H17NO — CID 58157959

IUPAC3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1CC(C(C)C)=NO1
InChIInChI=1S/C9H17NO/c1-4-5-8-6-9(7(2)3)10-11-8/h7-8H,4-6H2,1-3H3
InChIKeyJYIPKPYJWHWADC-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.59
Rot. Bonds3

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

3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 58157959) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole
PubChem CID58157959
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1CC(C(C)C)=NO1
InChIInChI=1S/C9H17NO/c1-4-5-8-6-9(7(2)3)10-11-8/h7-8H,4-6H2,1-3H3
InChIKeyJYIPKPYJWHWADC-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole (CID 58157959) is 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole is CCCC1CC(C(C)C)=NO1.
What is the InChIKey of 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is JYIPKPYJWHWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-8-6-9(7(2)3)10-11-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole?
3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58157959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).