(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide

C20H26N6O3 — CID 155026976

IUPAC(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccc(/C(=C/N)NN)cc2)on1
InChIInChI=1S/C20H26N6O3/c1-13-9-16(29-25-13)10-19(27)26-8-2-3-18(26)20(28)23-12-14-4-6-15(7-5-14)17(11-21)24-22/h4-7,9,11,18,24H,2-3,8,10,12,21-22H2,1H3,(H,23,28)/b17-11-/t18-/m0/s1
InChIKeyPUAWHFGURYVQHL-PNDHZVEESA-N
MW398.47 g/mol
LogP0.55
Rot. Bonds7

About (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide

(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 155026976) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID155026976
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccc(/C(=C/N)NN)cc2)on1
InChIInChI=1S/C20H26N6O3/c1-13-9-16(29-25-13)10-19(27)26-8-2-3-18(26)20(28)23-12-14-4-6-15(7-5-14)17(11-21)24-22/h4-7,9,11,18,24H,2-3,8,10,12,21-22H2,1H3,(H,23,28)/b17-11-/t18-/m0/s1
InChIKeyPUAWHFGURYVQHL-PNDHZVEESA-N
XLogP0.55
TPSA139.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 162614759
N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006
N-[[4-(2-imino-4-oxopentan-3-yl)phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123312848
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123930502
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide;propane
CID 142573256
1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[2-methyl-4-(1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146357956
N-benzyl-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625854
N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 146358308
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 76531936
(2S,4R)-4-hydroxy-N-[[4-[(E)-3-(methanethioylamino)but-2-en-2-yl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358607
N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146357842

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide (CID 155026976) is (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide is Cc1cc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccc(/C(=C/N)NN)cc2)on1.
What is the InChIKey of (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is PUAWHFGURYVQHL-PNDHZVEESA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-9-16(29-25-13)10-19(27)26-8-2-3-18(26)20(28)23-12-14-4-6-15(7-5-14)17(11-21)24-22/h4-7,9,11,18,24H,2-3,8,10,12,21-22H2,1H3,(H,23,28)/b17-11-/t18-/m0/s1.
What are the key properties of (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
(2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-[(Z)-2-amino-1-hydrazinylethenyl]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155026976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).