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

C14H22N2O3 — CID 106978676

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1c(C)noc1C
InChIInChI=1S/C14H22N2O3/c1-4-6-14(13(17)18)7-5-8-16(14)9-12-10(2)15-19-11(12)3/h4-9H2,1-3H3,(H,17,18)
InChIKeyCYLVFBBFMUBSHB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.51
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978676) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978676
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1c(C)noc1C
InChIInChI=1S/C14H22N2O3/c1-4-6-14(13(17)18)7-5-8-16(14)9-12-10(2)15-19-11(12)3/h4-9H2,1-3H3,(H,17,18)
InChIKeyCYLVFBBFMUBSHB-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978863
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83075805
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080275
3,5-dimethyl-4-[[8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155835984
1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979102
1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
1-[(6-methoxy-2-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979080
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978887
1-[2-(oxolan-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978881
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978885
1-(2-ethylsulfanylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979017

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978676) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1Cc1c(C)noc1C.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is CYLVFBBFMUBSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-6-14(13(17)18)7-5-8-16(14)9-12-10(2)15-19-11(12)3/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).