N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide

C14H19N3O3 — CID 119656586

IUPACN-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H19N3O3/c1-14(2,8-15)9-17(3)13(18)10-7-12(20-16-10)11-5-4-6-19-11/h4-7H,8-9,15H2,1-3H3
InChIKeyYIUASSBMDFGOEW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.99
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 119656586) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID119656586
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C14H19N3O3/c1-14(2,8-15)9-17(3)13(18)10-7-12(20-16-10)11-5-4-6-19-11/h4-7H,8-9,15H2,1-3H3
InChIKeyYIUASSBMDFGOEW-UHFFFAOYSA-N
XLogP1.99
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide (CID 119656586) is N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YIUASSBMDFGOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,8-15)9-17(3)13(18)10-7-12(20-16-10)11-5-4-6-19-11/h4-7H,8-9,15H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119656586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).