N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide

C17H22ClN5O2 — CID 99802595

IUPACN-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H]2c2nc(N(C)C)no2)cc1Cl
InChIInChI=1S/C17H22ClN5O2/c1-11-6-7-12(9-13(11)18)19-15(24)10-23-8-4-5-14(23)16-20-17(21-25-16)22(2)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyZJWXXUSHUXJPRG-AWEZNQCLSA-N
MW363.85 g/mol
LogP2.87
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide (PubChem CID 99802595) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
PubChem CID99802595
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H]2c2nc(N(C)C)no2)cc1Cl
InChIInChI=1S/C17H22ClN5O2/c1-11-6-7-12(9-13(11)18)19-15(24)10-23-8-4-5-14(23)16-20-17(21-25-16)22(2)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyZJWXXUSHUXJPRG-AWEZNQCLSA-N
XLogP2.87
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 35244187
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91839248
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079619
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760816
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894316

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide (CID 99802595) is N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc(N(C)C)no2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is ZJWXXUSHUXJPRG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-11-6-7-12(9-13(11)18)19-15(24)10-23-8-4-5-14(23)16-20-17(21-25-16)22(2)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,19,24)/t14-/m0/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 363.85 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 99802595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).