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

C18H16ClN3O3 — CID 174583815

IUPAC2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCCOc1ccc(-c2noc(NC(=O)CCl)c2-c2ccncc2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-24-14-5-3-13(4-6-14)17-16(12-7-9-20-10-8-12)18(25-22-17)21-15(23)11-19/h3-10H,2,11H2,1H3,(H,21,23)
InChIKeyQRMCHSLRIASILT-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.98
Rot. Bonds6

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

2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 174583815) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID174583815
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCCOc1ccc(-c2noc(NC(=O)CCl)c2-c2ccncc2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-2-24-14-5-3-13(4-6-14)17-16(12-7-9-20-10-8-12)18(25-22-17)21-15(23)11-19/h3-10H,2,11H2,1H3,(H,21,23)
InChIKeyQRMCHSLRIASILT-UHFFFAOYSA-N
XLogP3.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197839
2-chloro-N-[3-(4-methoxyphenyl)-4-methyl-1,2-oxazol-5-yl]acetamide
CID 13362983
N-[2-(4-ethoxyphenyl)ethyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 53001941
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
N-ethyl-3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 139825921
N-[3-(2,6-dimethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57417789
ethyl 3-(4-chlorophenyl)-5-[[2-(4-methylphenoxy)acetyl]amino]-1,2-oxazole-4-carboxylate
CID 108742922
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
2-(2-aminophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 57417708
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
ethyl 3-(4-chlorophenyl)-5-[4-(4-methylphenoxy)butanoylamino]-1,2-oxazole-4-carboxylate
CID 108765301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide (CID 174583815) is 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide is CCOc1ccc(-c2noc(NC(=O)CCl)c2-c2ccncc2)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is QRMCHSLRIASILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-2-24-14-5-3-13(4-6-14)17-16(12-7-9-20-10-8-12)18(25-22-17)21-15(23)11-19/h3-10H,2,11H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide?
2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 174583815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).