5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

C19H18ClN3O4 — CID 24819337

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCc3cccc(C)n3)no2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O4/c1-12-4-3-5-13(22-12)10-21-19(24)17-9-15(27-23-17)11-26-18-7-6-14(25-2)8-16(18)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyUWHKHLBVCXVTLV-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.55
Rot. Bonds7

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24819337) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24819337
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCc3cccc(C)n3)no2)c(Cl)c1
InChIInChI=1S/C19H18ClN3O4/c1-12-4-3-5-13(22-12)10-21-19(24)17-9-15(27-23-17)11-26-18-7-6-14(25-2)8-16(18)20/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyUWHKHLBVCXVTLV-UHFFFAOYSA-N
XLogP3.55
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide (CID 24819337) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCc3cccc(C)n3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UWHKHLBVCXVTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-12-4-3-5-13(22-12)10-21-19(24)17-9-15(27-23-17)11-26-18-7-6-14(25-2)8-16(18)20/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).