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

C18H17ClN4O4 — CID 24794306

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)N(C)Cc3cnccn3)no2)c(Cl)c1
InChIInChI=1S/C18H17ClN4O4/c1-23(10-12-9-20-5-6-21-12)18(24)16-8-14(27-22-16)11-26-17-4-3-13(25-2)7-15(17)19/h3-9H,10-11H2,1-2H3
InChIKeyQICAHZXXUFBVIA-UHFFFAOYSA-N
MW388.81 g/mol
LogP2.98
Rot. Bonds7

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24794306) has the molecular formula C18H17ClN4O4 and a molecular weight of 388.81 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID24794306
Molecular FormulaC18H17ClN4O4
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)N(C)Cc3cnccn3)no2)c(Cl)c1
InChIInChI=1S/C18H17ClN4O4/c1-23(10-12-9-20-5-6-21-12)18(24)16-8-14(27-22-16)11-26-17-4-3-13(25-2)7-15(17)19/h3-9H,10-11H2,1-2H3
InChIKeyQICAHZXXUFBVIA-UHFFFAOYSA-N
XLogP2.98
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 29151221
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56751364
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42101315
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42288730
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 24817545
5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24817549
methyl (2S,3S)-2-[[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoate
CID 42356603
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24792134
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24793819
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
N-(1,3-benzoxazol-2-ylmethyl)-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42156624
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42101255

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 24794306) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)N(C)Cc3cnccn3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QICAHZXXUFBVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4/c1-23(10-12-9-20-5-6-21-12)18(24)16-8-14(27-22-16)11-26-17-4-3-13(25-2)7-15(17)19/h3-9H,10-11H2,1-2H3.
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24794306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).