(2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide

C18H21Cl2N3O3 — CID 146358566

IUPAC(2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CCN2C[C@H](O)C[C@H]2C(=O)NCc2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C18H21Cl2N3O3/c1-11-6-15(26-22-11)4-5-23-10-14(24)8-17(23)18(25)21-9-12-2-3-13(19)7-16(12)20/h2-3,6-7,14,17,24H,4-5,8-10H2,1H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyFIUYXPZWOZEIAS-PBHICJAKSA-N
MW398.29 g/mol
LogP2.58
Rot. Bonds6

About (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide

(2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 146358566) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID146358566
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC Name(2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CCN2C[C@H](O)C[C@H]2C(=O)NCc2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C18H21Cl2N3O3/c1-11-6-15(26-22-11)4-5-23-10-14(24)8-17(23)18(25)21-9-12-2-3-13(19)7-16(12)20/h2-3,6-7,14,17,24H,4-5,8-10H2,1H3,(H,21,25)/t14-,17+/m1/s1
InChIKeyFIUYXPZWOZEIAS-PBHICJAKSA-N
XLogP2.58
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-N-[[4-(2H-triazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 138612039
(2S,4R)-N-[(4-chloro-2-methylphenyl)methyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 167097711
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 76531936
N-[(2,4-dichlorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094619
1-[(2S,4R)-2-[3-(4-chlorophenyl)propanethioyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 158089877
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 123902073
methyl (2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 99706083
(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71608567
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71461570
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(1H-pyrazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 78131701
(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71608671

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide (CID 146358566) is (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide is Cc1cc(CCN2C[C@H](O)C[C@H]2C(=O)NCc2ccc(Cl)cc2Cl)on1.
What is the InChIKey of (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is FIUYXPZWOZEIAS-PBHICJAKSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c1-11-6-15(26-22-11)4-5-23-10-14(24)8-17(23)18(25)21-9-12-2-3-13(19)7-16(12)20/h2-3,6-7,14,17,24H,4-5,8-10H2,1H3,(H,21,25)/t14-,17+/m1/s1.
What are the key properties of (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide?
(2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 398.29 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146358566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).