(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid

C12H11FN2O3 — CID 122051706

IUPAC(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1nc2c(F)cccc2o1
InChIInChI=1S/C12H11FN2O3/c13-7-3-1-5-9-10(7)14-12(18-9)15-6-2-4-8(15)11(16)17/h1,3,5,8H,2,4,6H2,(H,16,17)/t8-/m1/s1
InChIKeyHYYOQGLANGQWKN-MRVPVSSYSA-N
MW250.23 g/mol
LogP2.02
Rot. Bonds2

About (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122051706) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID122051706
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1nc2c(F)cccc2o1
InChIInChI=1S/C12H11FN2O3/c13-7-3-1-5-9-10(7)14-12(18-9)15-6-2-4-8(15)11(16)17/h1,3,5,8H,2,4,6H2,(H,16,17)/t8-/m1/s1
InChIKeyHYYOQGLANGQWKN-MRVPVSSYSA-N
XLogP2.02
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid
CID 122047375
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
2-(2-carbamoylpyrrolidin-1-yl)-5-methyl-1,3-benzoxazole-4-carboxylic acid
CID 68865001
1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122058851
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
(2S)-1-[2-(difluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 166124752
[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 97427927
(2S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 6546523
N-(2,1,3-benzothiadiazol-4-yl)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide
CID 126850569

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid (CID 122051706) is (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1nc2c(F)cccc2o1.
What is the InChIKey of (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is HYYOQGLANGQWKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-7-3-1-5-9-10(7)14-12(18-9)15-6-2-4-8(15)11(16)17/h1,3,5,8H,2,4,6H2,(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluoro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).