2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole

C18H24N2O2 — CID 58697819

IUPAC2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole
SMILESCc1nc(CCOc2ccc([C@@H]3CC[C@@H](C)N3)cc2)c(C)o1
InChIInChI=1S/C18H24N2O2/c1-12-4-9-18(19-12)15-5-7-16(8-6-15)21-11-10-17-13(2)22-14(3)20-17/h5-8,12,18-19H,4,9-11H2,1-3H3/t12-,18+/m1/s1
InChIKeySFZIHDWXKJKIDE-XIKOKIGWSA-N
MW300.40 g/mol
LogP3.73
Rot. Bonds5

About 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole

2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole (PubChem CID 58697819) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole
PubChem CID58697819
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole
SMILESCc1nc(CCOc2ccc([C@@H]3CC[C@@H](C)N3)cc2)c(C)o1
InChIInChI=1S/C18H24N2O2/c1-12-4-9-18(19-12)15-5-7-16(8-6-15)21-11-10-17-13(2)22-14(3)20-17/h5-8,12,18-19H,4,9-11H2,1-3H3/t12-,18+/m1/s1
InChIKeySFZIHDWXKJKIDE-XIKOKIGWSA-N
XLogP3.73
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 21051422
(4-methoxyphenyl) (2S,5R)-2-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-5-methylpyrrolidine-1-carboxylate
CID 58697795
(4-methoxyphenyl) 2-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-7-methyl-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 21051411
7-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-(4-methoxyphenoxy)carbonylazepane-2-carboxylic acid
CID 21051427
(2R,5R)-5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid;methane
CID 160923024
methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate
CID 163668114
(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
CID 124509740
(E)-3-[4-[2-(2-cyclohexyl-5-methyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enenitrile
CID 11045973
N-[[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]hydroxylamine
CID 10640754
5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole
CID 141088768
2-[2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10091852
2-(4-cyclohexylphenoxy)-2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
CID 139983293

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole (CID 58697819) is 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole is Cc1nc(CCOc2ccc([C@@H]3CC[C@@H](C)N3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole?
The InChIKey is SFZIHDWXKJKIDE-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-4-9-18(19-12)15-5-7-16(8-6-15)21-11-10-17-13(2)22-14(3)20-17/h5-8,12,18-19H,4,9-11H2,1-3H3/t12-,18+/m1/s1.
What are the key properties of 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole?
2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole has a molecular weight of 300.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole is sourced from PubChem (CID 58697819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).