5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C19H21ClN4O4 — CID 29151221

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)c(Cl)c1
InChIInChI=1S/C19H21ClN4O4/c1-23(7-6-13-10-21-24(2)11-13)19(25)17-9-15(28-22-17)12-27-18-5-4-14(26-3)8-16(18)20/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyWGWRROARLVPYLY-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.96
Rot. Bonds8

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 29151221) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID29151221
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)c(Cl)c1
InChIInChI=1S/C19H21ClN4O4/c1-23(7-6-13-10-21-24(2)11-13)19(25)17-9-15(28-22-17)12-27-18-5-4-14(26-3)8-16(18)20/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyWGWRROARLVPYLY-UHFFFAOYSA-N
XLogP2.96
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 29151221) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WGWRROARLVPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-23(7-6-13-10-21-24(2)11-13)19(25)17-9-15(28-22-17)12-27-18-5-4-14(26-3)8-16(18)20/h4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 2.96, 8 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-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 29151221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).