3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H18ClN3O3 — CID 78875899

IUPAC3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)ccn1
InChIInChI=1S/C19H18ClN3O3/c1-3-25-16-10-13(8-9-21-16)11-22-19(24)17-12(2)26-23-18(17)14-6-4-5-7-15(14)20/h4-10H,3,11H2,1-2H3,(H,22,24)
InChIKeyMCZCMMPARYUYFO-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.03
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 78875899) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID78875899
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)ccn1
InChIInChI=1S/C19H18ClN3O3/c1-3-25-16-10-13(8-9-21-16)11-22-19(24)17-12(2)26-23-18(17)14-6-4-5-7-15(14)20/h4-10H,3,11H2,1-2H3,(H,22,24)
InChIKeyMCZCMMPARYUYFO-UHFFFAOYSA-N
XLogP4.03
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
3-(2-chlorophenyl)-5-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90596115
3-(2-chlorophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91630452
3-(2-chlorophenyl)-5-methyl-N-(naphthalen-1-ylmethyl)-1,2-oxazole-4-carboxamide
CID 112817008
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 121196657
N-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78892389
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78881990
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 78875899) is 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCOc1cc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)ccn1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is MCZCMMPARYUYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-3-25-16-10-13(8-9-21-16)11-22-19(24)17-12(2)26-23-18(17)14-6-4-5-7-15(14)20/h4-10H,3,11H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 78875899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).