2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole

C11H15NO — CID 126659130

IUPAC2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole
SMILESCCCc1nc2c(o1)C=CCCC2
InChIInChI=1S/C11H15NO/c1-2-6-11-12-9-7-4-3-5-8-10(9)13-11/h5,8H,2-4,6-7H2,1H3
InChIKeyRSJKRFHGECAPPR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.98
Rot. Bonds2

About 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole

2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole (PubChem CID 126659130) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole
PubChem CID126659130
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole
SMILESCCCc1nc2c(o1)C=CCCC2
InChIInChI=1S/C11H15NO/c1-2-6-11-12-9-7-4-3-5-8-10(9)13-11/h5,8H,2-4,6-7H2,1H3
InChIKeyRSJKRFHGECAPPR-UHFFFAOYSA-N
XLogP2.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole?
The IUPAC name of 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole (CID 126659130) is 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole is CCCc1nc2c(o1)C=CCCC2.
What is the InChIKey of 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole?
The InChIKey is RSJKRFHGECAPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-6-11-12-9-7-4-3-5-8-10(9)13-11/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole?
2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole has a molecular weight of 177.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5,6-dihydro-4H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 126659130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).