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

C12H21N3O2 — CID 81484590

IUPACN-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)CC(C)(C)CN)o1
InChIInChI=1S/C12H21N3O2/c1-8-10(17-9(2)14-8)11(16)15(5)7-12(3,4)6-13/h6-7,13H2,1-5H3
InChIKeyXGPLZAFUULFVOO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.35
Rot. Bonds4

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

N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide (PubChem CID 81484590) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
PubChem CID81484590
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)CC(C)(C)CN)o1
InChIInChI=1S/C12H21N3O2/c1-8-10(17-9(2)14-8)11(16)15(5)7-12(3,4)6-13/h6-7,13H2,1-5H3
InChIKeyXGPLZAFUULFVOO-UHFFFAOYSA-N
XLogP1.35
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.35
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)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide (CID 81484590) is N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)CC(C)(C)CN)o1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is XGPLZAFUULFVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-10(17-9(2)14-8)11(16)15(5)7-12(3,4)6-13/h6-7,13H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.35, 4 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)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 81484590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).