4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C17H20N4O4 — CID 123902073

IUPAC4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccccn2)on1
InChIInChI=1S/C17H20N4O4/c1-11-6-14(25-20-11)8-16(23)21-10-13(22)7-15(21)17(24)19-9-12-4-2-3-5-18-12/h2-6,13,15,22H,7-10H2,1H3,(H,19,24)
InChIKeyOUAQXWPMYLVQHD-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.20
Rot. Bonds5

About 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 123902073) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID123902073
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccccn2)on1
InChIInChI=1S/C17H20N4O4/c1-11-6-14(25-20-11)8-16(23)21-10-13(22)7-15(21)17(24)19-9-12-4-2-3-5-18-12/h2-6,13,15,22H,7-10H2,1H3,(H,19,24)
InChIKeyOUAQXWPMYLVQHD-UHFFFAOYSA-N
XLogP0.20
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71608567
(4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 135179472
(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
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-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
(3R)-3-(4-chlorophenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-4-phenylbutan-1-one
CID 147341165
(2S,4R)-N-[(2R)-1-(4-chlorophenyl)-3-phenylmethoxypropan-2-yl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358289
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 51074101
N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 154849911
(2S,4R)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 146358566

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 123902073) is 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is Cc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccccn2)on1.
What is the InChIKey of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is OUAQXWPMYLVQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-6-14(25-20-11)8-16(23)21-10-13(22)7-15(21)17(24)19-9-12-4-2-3-5-18-12/h2-6,13,15,22H,7-10H2,1H3,(H,19,24).
What are the key properties of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123902073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).