2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole

C16H20N2O — CID 82049611

IUPAC2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2cnc(C3CCCN3)o2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-10-7-11(2)15(12(3)8-10)14-9-18-16(19-14)13-5-4-6-17-13/h7-9,13,17H,4-6H2,1-3H3
InChIKeyUUZSDABZFPVPAW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.69
Rot. Bonds2

About 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole

2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole (PubChem CID 82049611) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
PubChem CID82049611
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole
SMILESCc1cc(C)c(-c2cnc(C3CCCN3)o2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-10-7-11(2)15(12(3)8-10)14-9-18-16(19-14)13-5-4-6-17-13/h7-9,13,17H,4-6H2,1-3H3
InChIKeyUUZSDABZFPVPAW-UHFFFAOYSA-N
XLogP3.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 52983812
5-(2-bromophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 84715620
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
CID 115085669
3-(3,5-dimethyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 113365456
5,6-dimethyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230711
5-methyl-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274526
2-(2,5-dimethylfuran-3-yl)pyrrolidine
CID 54594405
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
CID 115085791
5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115033418
5-methyl-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 60918724
2-(2-piperidin-2-yl-1,3-oxazol-5-yl)propan-1-ol
CID 115085864

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole?
The IUPAC name of 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole (CID 82049611) is 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole?
The canonical SMILES for 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole is Cc1cc(C)c(-c2cnc(C3CCCN3)o2)c(C)c1.
What is the InChIKey of 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole?
The InChIKey is UUZSDABZFPVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-7-11(2)15(12(3)8-10)14-9-18-16(19-14)13-5-4-6-17-13/h7-9,13,17H,4-6H2,1-3H3.
What are the key properties of 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole?
2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole has a molecular weight of 256.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-5-(2,4,6-trimethylphenyl)-1,3-oxazole is sourced from PubChem (CID 82049611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).