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

C16H18Cl2N2O2 — CID 153366538

IUPACN-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)Cc1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C16H18Cl2N2O2/c1-3-10(2)6-15-20-14(9-22-15)16(21)19-8-11-4-5-12(17)13(18)7-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,19,21)
InChIKeyYGFHIABSUWPOME-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.50
Rot. Bonds6

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

N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide (PubChem CID 153366538) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide
PubChem CID153366538
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide
SMILESCCC(C)Cc1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C16H18Cl2N2O2/c1-3-10(2)6-15-20-14(9-22-15)16(21)19-8-11-4-5-12(17)13(18)7-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,19,21)
InChIKeyYGFHIABSUWPOME-UHFFFAOYSA-N
XLogP4.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-[[(3,4-dichlorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 93158069
2-[[(3,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 46002516
2-(1-amino-2-methylbutyl)-N-[(3-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3868304
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3804725
2-[[(3,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 46149281
2-[[butan-2-yl-[(2,4-dichlorophenyl)methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834405
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide (CID 153366538) is N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide is CCC(C)Cc1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
The InChIKey is YGFHIABSUWPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-3-10(2)6-15-20-14(9-22-15)16(21)19-8-11-4-5-12(17)13(18)7-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,19,21).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide has a molecular weight of 341.24 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 153366538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).