2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide

C13H13Cl2N3O3 — CID 3833724

IUPAC2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C13H13Cl2N3O3/c14-8-2-1-7(3-9(8)15)4-17-12(20)11-6-21-13(18-11)10(16)5-19/h1-3,6,10,19H,4-5,16H2,(H,17,20)
InChIKeyYNDXLPRORLBALL-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.90
Rot. Bonds5

About 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3833724) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3833724
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(CO)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C13H13Cl2N3O3/c14-8-2-1-7(3-9(8)15)4-17-12(20)11-6-21-13(18-11)10(16)5-19/h1-3,6,10,19H,4-5,16H2,(H,17,20)
InChIKeyYNDXLPRORLBALL-UHFFFAOYSA-N
XLogP1.90
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
2-(1-amino-2-hydroxyethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3789915
N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 153366538
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5237705
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3789916
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-(1-amino-2-hydroxyethyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3695546
2-(1-amino-2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3808934
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3833724) is 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide is NC(CO)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YNDXLPRORLBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c14-8-2-1-7(3-9(8)15)4-17-12(20)11-6-21-13(18-11)10(16)5-19/h1-3,6,10,19H,4-5,16H2,(H,17,20).
What are the key properties of 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 330.17 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3833724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).