2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C19H25N3O3 — CID 50808865

IUPAC2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C19H25N3O3/c1-4-17-18(13(2)21-25-17)16-9-6-10-22(16)19(23)20-12-14-7-5-8-15(11-14)24-3/h5,7-8,11,16H,4,6,9-10,12H2,1-3H3,(H,20,23)
InChIKeyCOKSJWUPSVTVNF-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.60
Rot. Bonds5

About 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 50808865) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID50808865
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C19H25N3O3/c1-4-17-18(13(2)21-25-17)16-9-6-10-22(16)19(23)20-12-14-7-5-8-15(11-14)24-3/h5,7-8,11,16H,4,6,9-10,12H2,1-3H3,(H,20,23)
InChIKeyCOKSJWUPSVTVNF-UHFFFAOYSA-N
XLogP3.60
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 50808865) is 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is CCc1onc(C)c1C1CCCN1C(=O)NCc1cccc(OC)c1.
What is the InChIKey of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is COKSJWUPSVTVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-17-18(13(2)21-25-17)16-9-6-10-22(16)19(23)20-12-14-7-5-8-15(11-14)24-3/h5,7-8,11,16H,4,6,9-10,12H2,1-3H3,(H,20,23).
What are the key properties of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 50808865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).