1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid

C14H22N2O3 — CID 63152561

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2nc(C)c(C)o2)C1
InChIInChI=1S/C14H22N2O3/c1-4-5-14(13(17)18)6-7-16(9-14)8-12-15-10(2)11(3)19-12/h4-9H2,1-3H3,(H,17,18)
InChIKeyVCZOHIKGHOJNPK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.37
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63152561) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63152561
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2nc(C)c(C)o2)C1
InChIInChI=1S/C14H22N2O3/c1-4-5-14(13(17)18)6-7-16(9-14)8-12-15-10(2)11(3)19-12/h4-9H2,1-3H3,(H,17,18)
InChIKeyVCZOHIKGHOJNPK-UHFFFAOYSA-N
XLogP2.37
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63152561) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2nc(C)c(C)o2)C1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is VCZOHIKGHOJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-14(13(17)18)6-7-16(9-14)8-12-15-10(2)11(3)19-12/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63152561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).