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

C17H19ClN2O5 — CID 24791100

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCC3(C)COC3)no2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O5/c1-17(9-23-10-17)8-19-16(21)14-6-12(25-20-14)7-24-15-4-3-11(22-2)5-13(15)18/h3-6H,7-10H2,1-2H3,(H,19,21)
InChIKeyMDMNJDSUFKNQCT-UHFFFAOYSA-N
MW366.80 g/mol
LogP2.68
Rot. Bonds7

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

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791100) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791100
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCC3(C)COC3)no2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O5/c1-17(9-23-10-17)8-19-16(21)14-6-12(25-20-14)7-24-15-4-3-11(22-2)5-13(15)18/h3-6H,7-10H2,1-2H3,(H,19,21)
InChIKeyMDMNJDSUFKNQCT-UHFFFAOYSA-N
XLogP2.68
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 52.68
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-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24791100) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCC3(C)COC3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MDMNJDSUFKNQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c1-17(9-23-10-17)8-19-16(21)14-6-12(25-20-14)7-24-15-4-3-11(22-2)5-13(15)18/h3-6H,7-10H2,1-2H3,(H,19,21).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 2.68, 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-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).