N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C18H22ClN3O4 — CID 47001061

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)on1
InChIInChI=1S/C18H22ClN3O4/c1-4-11-8-17(26-21-11)14-6-5-7-22(14)18(23)20-13-9-12(19)15(24-2)10-16(13)25-3/h8-10,14H,4-7H2,1-3H3,(H,20,23)
InChIKeyBXMVWDIMXJJJIJ-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.28
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47001061) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47001061
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)on1
InChIInChI=1S/C18H22ClN3O4/c1-4-11-8-17(26-21-11)14-6-5-7-22(14)18(23)20-13-9-12(19)15(24-2)10-16(13)25-3/h8-10,14H,4-7H2,1-3H3,(H,20,23)
InChIKeyBXMVWDIMXJJJIJ-UHFFFAOYSA-N
XLogP4.28
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47001061) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCc1cc(C2CCCN2C(=O)Nc2cc(Cl)c(OC)cc2OC)on1.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is BXMVWDIMXJJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-4-11-8-17(26-21-11)14-6-5-7-22(14)18(23)20-13-9-12(19)15(24-2)10-16(13)25-3/h8-10,14H,4-7H2,1-3H3,(H,20,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 379.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).