2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide

C14H14Cl2N2O3 — CID 84557151

IUPAC2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N2O3/c1-2-9(6-19)17-13(20)12-7-21-14(18-12)8-3-4-10(15)11(16)5-8/h3-5,7,9,19H,2,6H2,1H3,(H,17,20)
InChIKeyYRMCGXVKNRGHIT-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.15
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide

2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 84557151) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID84557151
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N2O3/c1-2-9(6-19)17-13(20)12-7-21-14(18-12)8-3-4-10(15)11(16)5-8/h3-5,7,9,19H,2,6H2,1H3,(H,17,20)
InChIKeyYRMCGXVKNRGHIT-UHFFFAOYSA-N
XLogP3.15
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide (CID 84557151) is 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide is CCC(CO)NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is YRMCGXVKNRGHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-2-9(6-19)17-13(20)12-7-21-14(18-12)8-3-4-10(15)11(16)5-8/h3-5,7,9,19H,2,6H2,1H3,(H,17,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 329.18 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84557151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).