N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide

C18H16FN5O3 — CID 95789189

IUPACN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1noc(-c2cccnc2)n1)Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN5O3/c19-14-5-3-11(4-6-14)8-13(15(20)25)10-22-17(26)16-23-18(27-24-16)12-2-1-7-21-9-12/h1-7,9,13H,8,10H2,(H2,20,25)(H,22,26)/t13-/m1/s1
InChIKeyTYSBTOSCAOSLHI-CYBMUJFWSA-N
MW369.36 g/mol
LogP1.34
Rot. Bonds7

About N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 95789189) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID95789189
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1noc(-c2cccnc2)n1)Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN5O3/c19-14-5-3-11(4-6-14)8-13(15(20)25)10-22-17(26)16-23-18(27-24-16)12-2-1-7-21-9-12/h1-7,9,13H,8,10H2,(H2,20,25)(H,22,26)/t13-/m1/s1
InChIKeyTYSBTOSCAOSLHI-CYBMUJFWSA-N
XLogP1.34
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
(2S)-2-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 95312921
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
5-pyridin-3-yl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97033036
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 166208942
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide (CID 95789189) is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide is NC(=O)[C@@H](CNC(=O)c1noc(-c2cccnc2)n1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is TYSBTOSCAOSLHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-14-5-3-11(4-6-14)8-13(15(20)25)10-22-17(26)16-23-18(27-24-16)12-2-1-7-21-9-12/h1-7,9,13H,8,10H2,(H2,20,25)(H,22,26)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide?
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-pyridin-3-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 95789189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).