5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide

C23H20ClN3O4 — CID 24817545

IUPAC5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cccc3cnccc23)no1
InChIInChI=1S/C23H20ClN3O4/c1-27(13-16-5-3-4-15-12-25-9-8-19(15)16)23(28)20-11-18(31-26-20)14-30-21-7-6-17(24)10-22(21)29-2/h3-12H,13-14H2,1-2H3
InChIKeyLFPNTPMFOPGQHH-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.74
Rot. Bonds7

About 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide

5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 24817545) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID24817545
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cccc3cnccc23)no1
InChIInChI=1S/C23H20ClN3O4/c1-27(13-16-5-3-4-15-12-25-9-8-19(15)16)23(28)20-11-18(31-26-20)14-30-21-7-6-17(24)10-22(21)29-2/h3-12H,13-14H2,1-2H3
InChIKeyLFPNTPMFOPGQHH-UHFFFAOYSA-N
XLogP4.74
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24794306
N-[(2-methoxyphenyl)methyl]-N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 42595324
6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
CID 70722014
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42516266
N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25486572
5-[(2-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56719289
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110
1-isoquinolin-5-yl-N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylmethanamine
CID 77085219
N-(isoquinolin-5-ylmethyl)-N-methyl-5-propyl-1,3,4-oxadiazole-2-carboxamide
CID 56879074
N-[(2-aminophenyl)methyl]-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 66155520
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42101255
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 24817545) is 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide is COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)Cc2cccc3cnccc23)no1.
What is the InChIKey of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LFPNTPMFOPGQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-27(13-16-5-3-4-15-12-25-9-8-19(15)16)23(28)20-11-18(31-26-20)14-30-21-7-6-17(24)10-22(21)29-2/h3-12H,13-14H2,1-2H3.
What are the key properties of 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide?
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).