3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole

C14H20N4O — CID 114721129

IUPAC3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
SMILESCc1noc(C)c1C(C)n1cncc1C1CCNC1
InChIInChI=1S/C14H20N4O/c1-9-14(11(3)19-17-9)10(2)18-8-16-7-13(18)12-4-5-15-6-12/h7-8,10,12,15H,4-6H2,1-3H3
InChIKeyHSWIVRBYEBFTTN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds3

About 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole

3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole (PubChem CID 114721129) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
PubChem CID114721129
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
SMILESCc1noc(C)c1C(C)n1cncc1C1CCNC1
InChIInChI=1S/C14H20N4O/c1-9-14(11(3)19-17-9)10(2)18-8-16-7-13(18)12-4-5-15-6-12/h7-8,10,12,15H,4-6H2,1-3H3
InChIKeyHSWIVRBYEBFTTN-UHFFFAOYSA-N
XLogP2.17
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
3-[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]piperidine
CID 114705230
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114717627
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
CID 106212006
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114721127
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole (CID 114721129) is 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole is Cc1noc(C)c1C(C)n1cncc1C1CCNC1.
What is the InChIKey of 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole?
The InChIKey is HSWIVRBYEBFTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-14(11(3)19-17-9)10(2)18-8-16-7-13(18)12-4-5-15-6-12/h7-8,10,12,15H,4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole?
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole has a molecular weight of 260.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 114721129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).