5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole

C12H19NO — CID 146526741

IUPAC5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1noc(C2CC2)c1C(C)C
InChIInChI=1S/C12H19NO/c1-7(2)10-11(8(3)4)13-14-12(10)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKeyPKHFERFNFGXTMI-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.80
Rot. Bonds3

About 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole

5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole (PubChem CID 146526741) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole
PubChem CID146526741
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole
SMILESCC(C)c1noc(C2CC2)c1C(C)C
InChIInChI=1S/C12H19NO/c1-7(2)10-11(8(3)4)13-14-12(10)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKeyPKHFERFNFGXTMI-UHFFFAOYSA-N
XLogP3.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole (CID 146526741) is 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole is CC(C)c1noc(C2CC2)c1C(C)C.
What is the InChIKey of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole?
The InChIKey is PKHFERFNFGXTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7(2)10-11(8(3)4)13-14-12(10)9-5-6-9/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole?
5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 146526741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).