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

C16H19Cl2N3O2 — CID 5100414

IUPAC2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)C(N)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C16H19Cl2N3O2/c1-3-9(2)14(19)16-21-13(8-23-16)15(22)20-7-10-4-5-11(17)12(18)6-10/h4-6,8-9,14H,3,7,19H2,1-2H3,(H,20,22)
InChIKeySOLPSQQWDFKJQX-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.96
Rot. Bonds6

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

2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 5100414) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID5100414
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)C(N)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1
InChIInChI=1S/C16H19Cl2N3O2/c1-3-9(2)14(19)16-21-13(8-23-16)15(22)20-7-10-4-5-11(17)12(18)6-10/h4-6,8-9,14H,3,7,19H2,1-2H3,(H,20,22)
InChIKeySOLPSQQWDFKJQX-UHFFFAOYSA-N
XLogP3.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3868304
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-amino-2-methylbutyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3809377
N-[(3,4-dichlorophenyl)methyl]-2-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 153366538
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
methyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(4-chlorophenyl)propanoate
CID 5158045
2-(1-amino-2-methylbutyl)-N-[4-[2-(4-aminophenyl)ethyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3866544
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-amino-2-methylbutyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3866894
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 5100414) is 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide is CCC(C)C(N)c1nc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1.
What is the InChIKey of 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SOLPSQQWDFKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-3-9(2)14(19)16-21-13(8-23-16)15(22)20-7-10-4-5-11(17)12(18)6-10/h4-6,8-9,14H,3,7,19H2,1-2H3,(H,20,22).
What are the key properties of 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 356.25 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5100414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).