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

C21H23N3O3 — CID 5308862

IUPAC4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-26-19-10-8-17(9-11-19)20-13-18(24-27-20)6-3-7-21(25)23-15-16-5-4-12-22-14-16/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,23,25)
InChIKeyRMXSQFGUZZHXRB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.77
Rot. Bonds9

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

4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 5308862) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide
PubChem CID5308862
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCc3cccnc3)no2)cc1
InChIInChI=1S/C21H23N3O3/c1-2-26-19-10-8-17(9-11-19)20-13-18(24-27-20)6-3-7-21(25)23-15-16-5-4-12-22-14-16/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,23,25)
InChIKeyRMXSQFGUZZHXRB-UHFFFAOYSA-N
XLogP3.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
Pyrrolopyridine, 29
CID 16720207
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3239565
6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide
CID 134604371
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-phenylcarbamate
CID 71453717
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1,2-oxazol-3-yl]ethyl N-ethylcarbamate
CID 71457187
6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one
CID 168284772
2-(4-propionylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2595155
N-[3-(4-Methoxy-benzoylamino)-propyl]-6-methyl-nicotinamide
CID 6498656
6-Methyl-N-[3-(2-p-tolyloxy-acetylamino)-propyl]-nicotinamide
CID 6498659
4-[5-(4-ethoxyphenyl)isoxazol-3-yl]-N-(3-methoxypropyl)butanamide
CID 3242918
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
CID 11957211

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide (CID 5308862) is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide is CCOc1ccc(-c2cc(CCCC(=O)NCc3cccnc3)no2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is RMXSQFGUZZHXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-26-19-10-8-17(9-11-19)20-13-18(24-27-20)6-3-7-21(25)23-15-16-5-4-12-22-14-16/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,23,25).
What are the key properties of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide?
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 365.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 5308862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).