5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid

C22H20ClN5O6 — CID 68808249

IUPAC5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ocnc3C(=O)O)cn2)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H20ClN5O6/c1-33-15-8-16(28(10-15)22(32)26-14-5-3-13(23)4-6-14)20(29)27-17-7-2-12(9-24-17)19-18(21(30)31)25-11-34-19/h2-7,9,11,15-16H,8,10H2,1H3,(H,26,32)(H,30,31)(H,24,27,29)/t15-,16-/m1/s1
InChIKeyLXZFDZBNPRZYMY-HZPDHXFCSA-N
MW485.88 g/mol
LogP3.35
Rot. Bonds6

About 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid

5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 68808249) has the molecular formula C22H20ClN5O6 and a molecular weight of 485.88 g/mol. Its IUPAC name is 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid
PubChem CID68808249
Molecular FormulaC22H20ClN5O6
Molecular Weight485.88 g/mol
Exact Mass485.11
IUPAC Name5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ocnc3C(=O)O)cn2)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H20ClN5O6/c1-33-15-8-16(28(10-15)22(32)26-14-5-3-13(23)4-6-14)20(29)27-17-7-2-12(9-24-17)19-18(21(30)31)25-11-34-19/h2-7,9,11,15-16H,8,10H2,1H3,(H,26,32)(H,30,31)(H,24,27,29)/t15-,16-/m1/s1
InChIKeyLXZFDZBNPRZYMY-HZPDHXFCSA-N
XLogP3.35
TPSA146.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.88
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid
CID 68807474
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68805264
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 24857779
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 58619630
4-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]thiophene-3-carboxylic acid
CID 22181625
2-[(4R)-1-[4-[[1-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]phenyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 68807033
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 16722214
1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 10217341
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68820034
N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide
CID 143202416
(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide
CID 89155887
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61468601

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid (CID 68808249) is 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid is CO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ocnc3C(=O)O)cn2)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is LXZFDZBNPRZYMY-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H20ClN5O6/c1-33-15-8-16(28(10-15)22(32)26-14-5-3-13(23)4-6-14)20(29)27-17-7-2-12(9-24-17)19-18(21(30)31)25-11-34-19/h2-7,9,11,15-16H,8,10H2,1H3,(H,26,32)(H,30,31)(H,24,27,29)/t15-,16-/m1/s1.
What are the key properties of 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid?
5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 485.88 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-pyridinyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 68808249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).