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

C15H21NO — CID 158836129

IUPAC4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1noc(C2CC2)c1C1=CCCCC1
InChIInChI=1S/C15H21NO/c1-10(2)14-13(11-6-4-3-5-7-11)15(17-16-14)12-8-9-12/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyPEERPNMQLVCNKI-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.63
Rot. Bonds3

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

4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole (PubChem CID 158836129) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole
PubChem CID158836129
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1noc(C2CC2)c1C1=CCCCC1
InChIInChI=1S/C15H21NO/c1-10(2)14-13(11-6-4-3-5-7-11)15(17-16-14)12-8-9-12/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyPEERPNMQLVCNKI-UHFFFAOYSA-N
XLogP4.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole (CID 158836129) is 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole is CC(C)c1noc(C2CC2)c1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole?
The InChIKey is PEERPNMQLVCNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)14-13(11-6-4-3-5-7-11)15(17-16-14)12-8-9-12/h6,10,12H,3-5,7-9H2,1-2H3.
What are the key properties of 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole?
4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole has a molecular weight of 231.34 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-5-cyclopropyl-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 158836129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).