4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide

C20H21N3O3 — CID 5308277

IUPAC4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-18-10-8-15(9-11-18)19-13-16(23-26-19)6-4-7-20(24)22-14-17-5-2-3-12-21-17/h2-3,5,8-13H,4,6-7,14H2,1H3,(H,22,24)
InChIKeyMWUVTCYCKYJPLA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.38
Rot. Bonds8

About 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide

4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 5308277) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide
PubChem CID5308277
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-18-10-8-15(9-11-18)19-13-16(23-26-19)6-4-7-20(24)22-14-17-5-2-3-12-21-17/h2-3,5,8-13H,4,6-7,14H2,1H3,(H,22,24)
InChIKeyMWUVTCYCKYJPLA-UHFFFAOYSA-N
XLogP3.38
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide (CID 5308277) is 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide is COc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is MWUVTCYCKYJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-10-8-15(9-11-18)19-13-16(23-26-19)6-4-7-20(24)22-14-17-5-2-3-12-21-17/h2-3,5,8-13H,4,6-7,14H2,1H3,(H,22,24).
What are the key properties of 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide?
4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 5308277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).