2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

C15H22N2O2 — CID 79549497

IUPAC2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1cc(CN2CCCC2C2CCCCC2=O)no1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(16-19-11)10-17-8-4-6-14(17)13-5-2-3-7-15(13)18/h9,13-14H,2-8,10H2,1H3
InChIKeyMXQJNAFZZGUVGU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.71
Rot. Bonds3

About 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79549497) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79549497
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCc1cc(CN2CCCC2C2CCCCC2=O)no1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(16-19-11)10-17-8-4-6-14(17)13-5-2-3-7-15(13)18/h9,13-14H,2-8,10H2,1H3
InChIKeyMXQJNAFZZGUVGU-UHFFFAOYSA-N
XLogP2.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79535849
2-[1-(1,2-oxazol-5-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549274
2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79553266
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545015
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 82866936
2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79540355
2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553267
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546696
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 82866833
N-[[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 95273531
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 79545540
2-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544032

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 79549497) is 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is Cc1cc(CN2CCCC2C2CCCCC2=O)no1.
What is the InChIKey of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is MXQJNAFZZGUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-12(16-19-11)10-17-8-4-6-14(17)13-5-2-3-7-15(13)18/h9,13-14H,2-8,10H2,1H3.
What are the key properties of 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79549497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).