2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

C21H21ClN4O4 — CID 67776016

IUPAC2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl
InChIInChI=1S/C21H21ClN4O4/c1-12-11-24-17(25-13(2)27)10-15(12)21-26-18(20(28)23-8-9-29-3)19(30-21)14-6-4-5-7-16(14)22/h4-7,10-11H,8-9H2,1-3H3,(H,23,28)(H,24,25,27)
InChIKeyJIDCGXNUZVSHQY-UHFFFAOYSA-N
MW428.88 g/mol
LogP3.70
Rot. Bonds7

About 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (PubChem CID 67776016) has the molecular formula C21H21ClN4O4 and a molecular weight of 428.88 g/mol. Its IUPAC name is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
PubChem CID67776016
Molecular FormulaC21H21ClN4O4
Molecular Weight428.88 g/mol
Exact Mass428.13
IUPAC Name2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl
InChIInChI=1S/C21H21ClN4O4/c1-12-11-24-17(25-13(2)27)10-15(12)21-26-18(20(28)23-8-9-29-3)19(30-21)14-6-4-5-7-16(14)22/h4-7,10-11H,8-9H2,1-3H3,(H,23,28)(H,24,25,27)
InChIKeyJIDCGXNUZVSHQY-UHFFFAOYSA-N
XLogP3.70
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide
CID 67952381
N-[4-[5-(2-chlorophenyl)-4-[[oxido(propan-2-yl)amino]methyl]-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 163798895
5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 159026410
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
CID 67776725
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide
CID 66749495
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 49371122
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
3-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24818298
[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082086
6-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
CID 58740433
2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide
CID 177319702

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide (CID 67776016) is 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is COCCNC(=O)c1nc(-c2cc(NC(C)=O)ncc2C)oc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JIDCGXNUZVSHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4/c1-12-11-24-17(25-13(2)27)10-15(12)21-26-18(20(28)23-8-9-29-3)19(30-21)14-6-4-5-7-16(14)22/h4-7,10-11H,8-9H2,1-3H3,(H,23,28)(H,24,25,27).
What are the key properties of 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide?
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67776016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).