(3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid

C19H21FN2O3 — CID 70715072

IUPAC(3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2F)nc1CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1
InChIInChI=1S/C19H21FN2O3/c1-11-17(21-18(25-11)13-4-2-3-5-16(13)20)10-22-8-14(12-6-7-12)15(9-22)19(23)24/h2-5,12,14-15H,6-10H2,1H3,(H,23,24)/t14-,15+/m0/s1
InChIKeyQDWJMYGPGBELCH-LSDHHAIUSA-N
MW344.39 g/mol
LogP3.33
Rot. Bonds5

About (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 70715072) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID70715072
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name(3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESCc1oc(-c2ccccc2F)nc1CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1
InChIInChI=1S/C19H21FN2O3/c1-11-17(21-18(25-11)13-4-2-3-5-16(13)20)10-22-8-14(12-6-7-12)15(9-22)19(23)24/h2-5,12,14-15H,6-10H2,1H3,(H,23,24)/t14-,15+/m0/s1
InChIKeyQDWJMYGPGBELCH-LSDHHAIUSA-N
XLogP3.33
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
CID 10346786
5-Methyl-2-phenyl-4-oxazoleacetic acid
CID 2775139
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
[(2S)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-2-pyrrolidinyl]methanol
CID 16189138
(3R,4S)-4-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
CID 9893080
(3R,4S)-1-ethoxycarbonyl-4-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 9982519
(3R,4S)-1-ethoxycarbonyl-4-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 10005877
2-[(3R,4R)-1-ethoxycarbonyl-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pyrrolidin-3-yl]acetic acid
CID 10073789
(3R,4S)-1-ethoxycarbonyl-4-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 10345547
(3R,4S)-4-[2-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
CID 10347250
(3R,4S)-4-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]-1-phenoxycarbonylpyrrolidine-3-carboxylic acid
CID 10370056
(3R,4S)-1-ethoxycarbonyl-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 10390333

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid (CID 70715072) is (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid is Cc1oc(-c2ccccc2F)nc1CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1.
What is the InChIKey of (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QDWJMYGPGBELCH-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-11-17(21-18(25-11)13-4-2-3-5-16(13)20)10-22-8-14(12-6-7-12)15(9-22)19(23)24/h2-5,12,14-15H,6-10H2,1H3,(H,23,24)/t14-,15+/m0/s1.
What are the key properties of (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclopropyl-1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70715072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).