4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole

C19H26N2O — CID 50808958

IUPAC4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1cc(C)ccc1C
InChIInChI=1S/C19H26N2O/c1-5-18-19(15(4)20-22-18)17-7-6-10-21(17)12-16-11-13(2)8-9-14(16)3/h8-9,11,17H,5-7,10,12H2,1-4H3
InChIKeyHQIOXFPHTXNHAD-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.50
Rot. Bonds4

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

4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (PubChem CID 50808958) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
PubChem CID50808958
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1C1CCCN1Cc1cc(C)ccc1C
InChIInChI=1S/C19H26N2O/c1-5-18-19(15(4)20-22-18)17-7-6-10-21(17)12-16-11-13(2)8-9-14(16)3/h8-9,11,17H,5-7,10,12H2,1-4H3
InChIKeyHQIOXFPHTXNHAD-UHFFFAOYSA-N
XLogP4.50
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3~{s})-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-Methyl-3-Phenyl-3~{h}-Isoindol-1-One
CID 78428091
8-Methyl-2-(3-methyl-isoxazol-5-yl)-3-p-tolyl-8-aza-bicyclo[3.2.1]octane
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(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
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CID 11255359
(2S,5R)-8-Methyl-2-(3-methyl-isoxazol-5-yl)-3-p-tolyl-8-aza-bicyclo[3.2.1]octane
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CID 24959542
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
2-(3-Ethyl-isoxazol-5-yl)-8-methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane
CID 22896698
2-(3-Isopropyl-isoxazol-5-yl)-8-methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane
CID 22896767
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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (CID 50808958) is 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is CCc1onc(C)c1C1CCCN1Cc1cc(C)ccc1C.
What is the InChIKey of 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The InChIKey is HQIOXFPHTXNHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-18-19(15(4)20-22-18)17-7-6-10-21(17)12-16-11-13(2)8-9-14(16)3/h8-9,11,17H,5-7,10,12H2,1-4H3.
What are the key properties of 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole has a molecular weight of 298.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 50808958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).