5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide

C18H21Cl2N3O3 — CID 119533285

IUPAC5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C1CCNC1
InChIInChI=1S/C18H21Cl2N3O3/c1-2-8-23(12-6-7-21-10-12)18(24)16-9-13(26-22-16)11-25-17-14(19)4-3-5-15(17)20/h3-5,9,12,21H,2,6-8,10-11H2,1H3
InChIKeyLAXONJAAMWEITC-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.77
Rot. Bonds7

About 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide

5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 119533285) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID119533285
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC Name5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C1CCNC1
InChIInChI=1S/C18H21Cl2N3O3/c1-2-8-23(12-6-7-21-10-12)18(24)16-9-13(26-22-16)11-25-17-14(19)4-3-5-15(17)20/h3-5,9,12,21H,2,6-8,10-11H2,1H3
InChIKeyLAXONJAAMWEITC-UHFFFAOYSA-N
XLogP3.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 66157781
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
5-(methoxymethyl)-N-piperidin-4-yl-N-propyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119824672
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
7-chloro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 119530695
N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119532386
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119531895
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide (CID 119533285) is 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide is CCCN(C(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C1CCNC1.
What is the InChIKey of 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LAXONJAAMWEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c1-2-8-23(12-6-7-21-10-12)18(24)16-9-13(26-22-16)11-25-17-14(19)4-3-5-15(17)20/h3-5,9,12,21H,2,6-8,10-11H2,1H3.
What are the key properties of 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide?
5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 398.29 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119533285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).