1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid

C14H22N2O3 — CID 119904496

IUPAC1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O3/c1-9(16-6-5-10(8-16)13(17)18)12-15-7-11(19-12)14(2,3)4/h7,9-10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyQBCOKKJASVSODV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.44
Rot. Bonds3

About 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid

1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 119904496) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID119904496
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O3/c1-9(16-6-5-10(8-16)13(17)18)12-15-7-11(19-12)14(2,3)4/h7,9-10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyQBCOKKJASVSODV-UHFFFAOYSA-N
XLogP2.44
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
(3S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 125147860
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066703
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904663
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
1-[(3S,4S)-1-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-methoxypyrrolidin-3-yl]-3-ethylurea
CID 98848556
1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 110838475
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 119904496) is 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid is CC(c1ncc(C(C)(C)C)o1)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QBCOKKJASVSODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(16-6-5-10(8-16)13(17)18)12-15-7-11(19-12)14(2,3)4/h7,9-10H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid?
1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119904496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).