N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide

C16H20ClN3O2 — CID 119655530

IUPACN-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H20ClN3O2/c1-16(2,9-18)10-20(3)15(21)13-8-14(22-19-13)11-4-6-12(17)7-5-11/h4-8H,9-10,18H2,1-3H3
InChIKeyPYDVDVUDBTXPBP-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.05
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 119655530) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID119655530
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H20ClN3O2/c1-16(2,9-18)10-20(3)15(21)13-8-14(22-19-13)11-4-6-12(17)7-5-11/h4-8H,9-10,18H2,1-3H3
InChIKeyPYDVDVUDBTXPBP-UHFFFAOYSA-N
XLogP3.05
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 119655530) is N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PYDVDVUDBTXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-16(2,9-18)10-20(3)15(21)13-8-14(22-19-13)11-4-6-12(17)7-5-11/h4-8H,9-10,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).