N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

C22H20N4O4 — CID 135970460

IUPACN-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nc(-c2cc3ccccc3[nH]c2=O)no1
InChIInChI=1S/C22H20N4O4/c1-29-18-9-5-3-7-15(18)13-23-19(27)10-11-20-25-21(26-30-20)16-12-14-6-2-4-8-17(14)24-22(16)28/h2-9,12H,10-11,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyKAWLTLRUCFQNDO-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.84
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 135970460) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID135970460
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccccc1CNC(=O)CCc1nc(-c2cc3ccccc3[nH]c2=O)no1
InChIInChI=1S/C22H20N4O4/c1-29-18-9-5-3-7-15(18)13-23-19(27)10-11-20-25-21(26-30-20)16-12-14-6-2-4-8-17(14)24-22(16)28/h2-9,12H,10-11,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyKAWLTLRUCFQNDO-UHFFFAOYSA-N
XLogP2.84
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
N-[(2-fluorophenyl)methyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330856
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270323
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 135970389
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 100761177
N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970455
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3243551
N-[(2-methoxyphenyl)methyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832232
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46354981
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46355126
N-[(2-methoxyphenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331087

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 135970460) is N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccccc1CNC(=O)CCc1nc(-c2cc3ccccc3[nH]c2=O)no1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is KAWLTLRUCFQNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-29-18-9-5-3-7-15(18)13-23-19(27)10-11-20-25-21(26-30-20)16-12-14-6-2-4-8-17(14)24-22(16)28/h2-9,12H,10-11,13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 404.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 135970460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).