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

C16H24N2O3 — CID 79535849

IUPAC2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCOCc1cc(CN2CCCC2C2CCCCC2=O)no1
InChIInChI=1S/C16H24N2O3/c1-20-11-13-9-12(17-21-13)10-18-8-4-6-15(18)14-5-2-3-7-16(14)19/h9,14-15H,2-8,10-11H2,1H3
InChIKeyNFTLZCNSQJHOBU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.54
Rot. Bonds5

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

2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79535849) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79535849
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCOCc1cc(CN2CCCC2C2CCCCC2=O)no1
InChIInChI=1S/C16H24N2O3/c1-20-11-13-9-12(17-21-13)10-18-8-4-6-15(18)14-5-2-3-7-16(14)19/h9,14-15H,2-8,10-11H2,1H3
InChIKeyNFTLZCNSQJHOBU-UHFFFAOYSA-N
XLogP2.54
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 79535849) is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one is COCc1cc(CN2CCCC2C2CCCCC2=O)no1.
What is the InChIKey of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is NFTLZCNSQJHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-11-13-9-12(17-21-13)10-18-8-4-6-15(18)14-5-2-3-7-16(14)19/h9,14-15H,2-8,10-11H2,1H3.
What are the key properties of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 292.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79535849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).