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

C18H20FN3O4 — CID 76531936

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccc(F)cc2)on1
InChIInChI=1S/C18H20FN3O4/c1-11-6-15(26-21-11)8-17(24)22-10-14(23)7-16(22)18(25)20-9-12-2-4-13(19)5-3-12/h2-6,14,16,23H,7-10H2,1H3,(H,20,25)
InChIKeyLRXCIPJRBZPWTC-UHFFFAOYSA-N
MW361.37 g/mol
LogP0.94
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 76531936) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID76531936
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccc(F)cc2)on1
InChIInChI=1S/C18H20FN3O4/c1-11-6-15(26-21-11)8-17(24)22-10-14(23)7-16(22)18(25)20-9-12-2-4-13(19)5-3-12/h2-6,14,16,23H,7-10H2,1H3,(H,20,25)
InChIKeyLRXCIPJRBZPWTC-UHFFFAOYSA-N
XLogP0.94
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
(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
(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
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 123902073
1-[(2S,4R)-2-[3-(4-chlorophenyl)propanethioyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 158089877
(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 162614759
(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
(2R,4R)-1-N-(2-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 7450583
(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
(2S,4S)-2-N-[(4-fluorophenyl)methyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7443681

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide (CID 76531936) is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide is Cc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccc(F)cc2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is LRXCIPJRBZPWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-11-6-15(26-21-11)8-17(24)22-10-14(23)7-16(22)18(25)20-9-12-2-4-13(19)5-3-12/h2-6,14,16,23H,7-10H2,1H3,(H,20,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 76531936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).