N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide

C15H17Cl2N3O3 — CID 119499822

IUPACN-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(N)CCNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C15H17Cl2N3O3/c1-9(18)5-6-19-15(21)13-7-10(23-20-13)8-22-14-11(16)3-2-4-12(14)17/h2-4,7,9H,5-6,8,18H2,1H3,(H,19,21)
InChIKeyFNLKBFDKOVDTAO-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.03
Rot. Bonds7

About N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide

N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 119499822) has the molecular formula C15H17Cl2N3O3 and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID119499822
Molecular FormulaC15H17Cl2N3O3
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC NameN-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(N)CCNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1
InChIInChI=1S/C15H17Cl2N3O3/c1-9(18)5-6-19-15(21)13-7-10(23-20-13)8-22-14-11(16)3-2-4-12(14)17/h2-4,7,9H,5-6,8,18H2,1H3,(H,19,21)
InChIKeyFNLKBFDKOVDTAO-UHFFFAOYSA-N
XLogP3.03
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 119609133
5-[(2,6-dichlorophenoxy)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 155949179
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone
CID 162407806
5-[(2,6-dichlorophenoxy)methyl]-N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119559624
5-[(2,6-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 42564641
5-[(2,6-dichlorophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119514912
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
5-[(2-chlorophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577021
2-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120518666
N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119496538
5-[(2,6-dimethylphenoxy)methyl]-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 56701087
1-[[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350526

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 119499822) is N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide is CC(N)CCNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1.
What is the InChIKey of N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FNLKBFDKOVDTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3/c1-9(18)5-6-19-15(21)13-7-10(23-20-13)8-22-14-11(16)3-2-4-12(14)17/h2-4,7,9H,5-6,8,18H2,1H3,(H,19,21).
What are the key properties of N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 358.23 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119499822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).