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

C19H26N2O — CID 53096296

IUPAC5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCc1ccc(CN2CCCC2c2cc(C(C)C)no2)c(C)c1
InChIInChI=1S/C19H26N2O/c1-13(2)17-11-19(22-20-17)18-6-5-9-21(18)12-16-8-7-14(3)10-15(16)4/h7-8,10-11,13,18H,5-6,9,12H2,1-4H3
InChIKeyOWFUSBPFQKMIHR-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.75
Rot. Bonds4

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

5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 53096296) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID53096296
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCc1ccc(CN2CCCC2c2cc(C(C)C)no2)c(C)c1
InChIInChI=1S/C19H26N2O/c1-13(2)17-11-19(22-20-17)18-6-5-9-21(18)12-16-8-7-14(3)10-15(16)4/h7-8,10-11,13,18H,5-6,9,12H2,1-4H3
InChIKeyOWFUSBPFQKMIHR-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079436
2-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 93070281
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070269
5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079524
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056275
3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079512
2-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanamine
CID 51619083
5-[1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096313
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079891
2-methoxy-5-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009641
5-[(2R)-1-[[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070247
5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096311

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 53096296) is 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is Cc1ccc(CN2CCCC2c2cc(C(C)C)no2)c(C)c1.
What is the InChIKey of 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is OWFUSBPFQKMIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)17-11-19(22-20-17)18-6-5-9-21(18)12-16-8-7-14(3)10-15(16)4/h7-8,10-11,13,18H,5-6,9,12H2,1-4H3.
What are the key properties of 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 298.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 53096296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).