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

C12H21N3O3 — CID 79651931

IUPACN-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)CC(C)(C)CN)no1
InChIInChI=1S/C12H21N3O3/c1-12(2,7-13)8-15(3)11(16)10-5-9(6-17-4)18-14-10/h5H,6-8,13H2,1-4H3
InChIKeyMDCUNSDQPNLIOC-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.88
Rot. Bonds6

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

N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 79651931) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID79651931
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N(C)CC(C)(C)CN)no1
InChIInChI=1S/C12H21N3O3/c1-12(2,7-13)8-15(3)11(16)10-5-9(6-17-4)18-14-10/h5H,6-8,13H2,1-4H3
InChIKeyMDCUNSDQPNLIOC-UHFFFAOYSA-N
XLogP0.88
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.88
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-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 79651931) is N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N(C)CC(C)(C)CN)no1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is MDCUNSDQPNLIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(2,7-13)8-15(3)11(16)10-5-9(6-17-4)18-14-10/h5H,6-8,13H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.88, 6 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-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79651931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).