N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide

C11H18N2O3 — CID 164642819

IUPACN-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide
SMILESCO[C@@H](CNC(=O)c1ccon1)C(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-11(2,3)9(15-4)7-12-10(14)8-5-6-16-13-8/h5-6,9H,7H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyLMWCFUSBNUIMFZ-VIFPVBQESA-N
MW226.28 g/mol
LogP1.47
Rot. Bonds4

About N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide

N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide (PubChem CID 164642819) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide
PubChem CID164642819
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide
SMILESCO[C@@H](CNC(=O)c1ccon1)C(C)(C)C
InChIInChI=1S/C11H18N2O3/c1-11(2,3)9(15-4)7-12-10(14)8-5-6-16-13-8/h5-6,9H,7H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyLMWCFUSBNUIMFZ-VIFPVBQESA-N
XLogP1.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide (CID 164642819) is N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide is CO[C@@H](CNC(=O)c1ccon1)C(C)(C)C.
What is the InChIKey of N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LMWCFUSBNUIMFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)9(15-4)7-12-10(14)8-5-6-16-13-8/h5-6,9H,7H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide?
N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-3,3-dimethylbutyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164642819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).