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

C18H21ClN2O4 — CID 24791488

IUPAC5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)NCC3(C)COC3)no2)cc(C)c1Cl
InChIInChI=1S/C18H21ClN2O4/c1-11-4-13(5-12(2)16(11)19)24-7-14-6-15(21-25-14)17(22)20-8-18(3)9-23-10-18/h4-6H,7-10H2,1-3H3,(H,20,22)
InChIKeyRALFCRCKZBPXCI-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.29
Rot. Bonds6

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

5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791488) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24791488
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)NCC3(C)COC3)no2)cc(C)c1Cl
InChIInChI=1S/C18H21ClN2O4/c1-11-4-13(5-12(2)16(11)19)24-7-14-6-15(21-25-14)17(22)20-8-18(3)9-23-10-18/h4-6H,7-10H2,1-3H3,(H,20,22)
InChIKeyRALFCRCKZBPXCI-UHFFFAOYSA-N
XLogP3.29
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24791488) is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(OCc2cc(C(=O)NCC3(C)COC3)no2)cc(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RALFCRCKZBPXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11-4-13(5-12(2)16(11)19)24-7-14-6-15(21-25-14)17(22)20-8-18(3)9-23-10-18/h4-6H,7-10H2,1-3H3,(H,20,22).
What are the key properties of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).