2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one

C14H20N2O2 — CID 79549274

IUPAC2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1Cc1ccno1
InChIInChI=1S/C14H20N2O2/c17-14-6-2-1-4-12(14)13-5-3-9-16(13)10-11-7-8-15-18-11/h7-8,12-13H,1-6,9-10H2
InChIKeyYFAQVFOOYKYVNA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.40
Rot. Bonds3

About 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79549274) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79549274
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1Cc1ccno1
InChIInChI=1S/C14H20N2O2/c17-14-6-2-1-4-12(14)13-5-3-9-16(13)10-11-7-8-15-18-11/h7-8,12-13H,1-6,9-10H2
InChIKeyYFAQVFOOYKYVNA-UHFFFAOYSA-N
XLogP2.40
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79549274) is 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1Cc1ccno1.
What is the InChIKey of 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is YFAQVFOOYKYVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14-6-2-1-4-12(14)13-5-3-9-16(13)10-11-7-8-15-18-11/h7-8,12-13H,1-6,9-10H2.
What are the key properties of 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79549274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).