N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C12H21N3O3 — CID 81486962

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)(CN)C(C)C)no1
InChIInChI=1S/C12H21N3O3/c1-8(2)12(3,7-13)14-11(16)10-5-9(6-17-4)18-15-10/h5,8H,6-7,13H2,1-4H3,(H,14,16)
InChIKeyMQXJLPVGMKVPJM-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.92
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 81486962) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID81486962
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC(C)(CN)C(C)C)no1
InChIInChI=1S/C12H21N3O3/c1-8(2)12(3,7-13)14-11(16)10-5-9(6-17-4)18-15-10/h5,8H,6-7,13H2,1-4H3,(H,14,16)
InChIKeyMQXJLPVGMKVPJM-UHFFFAOYSA-N
XLogP0.92
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 81486962) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC(C)(CN)C(C)C)no1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MQXJLPVGMKVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)12(3,7-13)14-11(16)10-5-9(6-17-4)18-15-10/h5,8H,6-7,13H2,1-4H3,(H,14,16).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 81486962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).