2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide

C18H23N3O3 — CID 50808986

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2c(C)noc2C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-23-15-9-7-14(8-10-15)19-18(22)21-11-5-6-16(21)17-12(2)20-24-13(17)3/h7-10,16H,4-6,11H2,1-3H3,(H,19,22)
InChIKeyCIKLWXJMLAVTRJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.06
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 50808986) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID50808986
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2c2c(C)noc2C)cc1
InChIInChI=1S/C18H23N3O3/c1-4-23-15-9-7-14(8-10-15)19-18(22)21-11-5-6-16(21)17-12(2)20-24-13(17)3/h7-10,16H,4-6,11H2,1-3H3,(H,19,22)
InChIKeyCIKLWXJMLAVTRJ-UHFFFAOYSA-N
XLogP4.06
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide (CID 50808986) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC2c2c(C)noc2C)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CIKLWXJMLAVTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-23-15-9-7-14(8-10-15)19-18(22)21-11-5-6-16(21)17-12(2)20-24-13(17)3/h7-10,16H,4-6,11H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-ethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50808986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).