N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide

C10H18N4O2 — CID 79653066

IUPACN-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC(C)(C)CN)no1
InChIInChI=1S/C10H18N4O2/c1-7-12-8(13-16-7)9(15)14(4)6-10(2,3)5-11/h5-6,11H2,1-4H3
InChIKeyYCEFOOPOEQBVBO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.43
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 79653066) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID79653066
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)CC(C)(C)CN)no1
InChIInChI=1S/C10H18N4O2/c1-7-12-8(13-16-7)9(15)14(4)6-10(2,3)5-11/h5-6,11H2,1-4H3
InChIKeyYCEFOOPOEQBVBO-UHFFFAOYSA-N
XLogP0.43
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.43
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)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide (CID 79653066) is N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)N(C)CC(C)(C)CN)no1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is YCEFOOPOEQBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-12-8(13-16-7)9(15)14(4)6-10(2,3)5-11/h5-6,11H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.43, 4 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)-N,5-dimethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 79653066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).