3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide

C15H17ClN2O3 — CID 110886583

IUPAC3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C15H17ClN2O3/c1-3-18(8-9-19)15(20)13-10(2)21-17-14(13)11-6-4-5-7-12(11)16/h4-7,19H,3,8-9H2,1-2H3
InChIKeyLLHZVDGEXFBITF-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.76
Rot. Bonds5

About 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110886583) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110886583
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C15H17ClN2O3/c1-3-18(8-9-19)15(20)13-10(2)21-17-14(13)11-6-4-5-7-12(11)16/h4-7,19H,3,8-9H2,1-2H3
InChIKeyLLHZVDGEXFBITF-UHFFFAOYSA-N
XLogP2.76
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 110886583) is 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is CCN(CCO)C(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LLHZVDGEXFBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-18(8-9-19)15(20)13-10(2)21-17-14(13)11-6-4-5-7-12(11)16/h4-7,19H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110886583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).