N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

C20H21N3O3 — CID 53001941

IUPACN-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(-c3ccncc3)noc2C)cc1
InChIInChI=1S/C20H21N3O3/c1-3-25-17-6-4-15(5-7-17)8-13-22-20(24)18-14(2)26-23-19(18)16-9-11-21-12-10-16/h4-7,9-12H,3,8,13H2,1-2H3,(H,22,24)
InChIKeyGDZHSYUUMZQFLT-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide

N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 53001941) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID53001941
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(-c3ccncc3)noc2C)cc1
InChIInChI=1S/C20H21N3O3/c1-3-25-17-6-4-15(5-7-17)8-13-22-20(24)18-14(2)26-23-19(18)16-9-11-21-12-10-16/h4-7,9-12H,3,8,13H2,1-2H3,(H,22,24)
InChIKeyGDZHSYUUMZQFLT-UHFFFAOYSA-N
XLogP3.42
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 91198346
5-methyl-3-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 33157326
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
N-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166193213
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 95050767
N-[N'-[(3,5-dichlorophenyl)methyl]carbamimidoyl]-3-(4-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 58962985

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 53001941) is N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is CCOc1ccc(CCNC(=O)c2c(-c3ccncc3)noc2C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GDZHSYUUMZQFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-17-6-4-15(5-7-17)8-13-22-20(24)18-14(2)26-23-19(18)16-9-11-21-12-10-16/h4-7,9-12H,3,8,13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53001941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).