2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid

C22H20Cl2N4O4 — CID 69370155

IUPAC2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(CCNc1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C1CCCN1C(=O)O
InChIInChI=1S/C22H20Cl2N4O4/c23-14-3-1-4-15(24)21(14)17-12-20(32-27-17)16-11-13(6-8-26-16)25-9-7-19(29)18-5-2-10-28(18)22(30)31/h1,3-4,6,8,11-12,18H,2,5,7,9-10H2,(H,25,26)(H,30,31)
InChIKeyFYKMVYREDAOIBV-UHFFFAOYSA-N
MW475.33 g/mol
LogP5.22
Rot. Bonds7

About 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid

2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid (PubChem CID 69370155) has the molecular formula C22H20Cl2N4O4 and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid
PubChem CID69370155
Molecular FormulaC22H20Cl2N4O4
Molecular Weight475.33 g/mol
Exact Mass474.09
IUPAC Name2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid
SMILESO=C(CCNc1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C1CCCN1C(=O)O
InChIInChI=1S/C22H20Cl2N4O4/c23-14-3-1-4-15(24)21(14)17-12-20(32-27-17)16-11-13(6-8-26-16)25-9-7-19(29)18-5-2-10-28(18)22(30)31/h1,3-4,6,8,11-12,18H,2,5,7,9-10H2,(H,25,26)(H,30,31)
InChIKeyFYKMVYREDAOIBV-UHFFFAOYSA-N
XLogP5.22
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.33
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371778
(2S)-2-(3-iodobenzoyl)piperidine-1-carboxylic acid
CID 68672565
(2S)-1-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365137
2-[2-[N-(2,2-dichloroacetyl)-3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]anilino]ethylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 69053428
(2S)-2-[[3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 68592571
2-chloro-N-[3-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
CID 174462735
(2R)-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 90464997
2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
(2S)-1-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366011
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
tert-butyl 2-[3-(3-chloro-2-methylphenyl)-1,2-oxazol-5-yl]pyrrolidine-1-carboxylate
CID 138691241
tert-butyl 2-[5-[[acetyl-[6,6-dichloro-5-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]cyclohexa-2,4-dien-1-yl]amino]methyl]-2-oxo-1,3-dioxol-4-yl]pyrrolidine-1-carboxylate
CID 69390160

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid (CID 69370155) is 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid is O=C(CCNc1ccnc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)C1CCCN1C(=O)O.
What is the InChIKey of 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FYKMVYREDAOIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O4/c23-14-3-1-4-15(24)21(14)17-12-20(32-27-17)16-11-13(6-8-26-16)25-9-7-19(29)18-5-2-10-28(18)22(30)31/h1,3-4,6,8,11-12,18H,2,5,7,9-10H2,(H,25,26)(H,30,31).
What are the key properties of 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid?
2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 475.33 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]amino]propanoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69370155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).