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

C21H22ClN3O4 — CID 24792055

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(COc3ccc(OC)cc3Cl)on2)nc1
InChIInChI=1S/C21H22ClN3O4/c1-4-14-5-6-15(23-11-14)12-25(2)21(26)19-10-17(29-24-19)13-28-20-8-7-16(27-3)9-18(20)22/h5-11H,4,12-13H2,1-3H3
InChIKeyRQHVZANCSZELIO-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.15
Rot. Bonds8

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 24792055) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID24792055
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(COc3ccc(OC)cc3Cl)on2)nc1
InChIInChI=1S/C21H22ClN3O4/c1-4-14-5-6-15(23-11-14)12-25(2)21(26)19-10-17(29-24-19)13-28-20-8-7-16(27-3)9-18(20)22/h5-11H,4,12-13H2,1-3H3
InChIKeyRQHVZANCSZELIO-UHFFFAOYSA-N
XLogP4.15
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 24792055) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(COc3ccc(OC)cc3Cl)on2)nc1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is RQHVZANCSZELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-4-14-5-6-15(23-11-14)12-25(2)21(26)19-10-17(29-24-19)13-28-20-8-7-16(27-3)9-18(20)22/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24792055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).