N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

C12H20N2O2 — CID 94815051

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)no1
InChIInChI=1S/C12H20N2O2/c1-8-7-10(13-16-8)11(15)14(6)9(2)12(3,4)5/h7,9H,1-6H3/t9-/m0/s1
InChIKeyYPOSZVKSJYSVFG-VIFPVBQESA-N
MW224.30 g/mol
LogP2.49
Rot. Bonds2

About N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 94815051) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID94815051
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)no1
InChIInChI=1S/C12H20N2O2/c1-8-7-10(13-16-8)11(15)14(6)9(2)12(3,4)5/h7,9H,1-6H3/t9-/m0/s1
InChIKeyYPOSZVKSJYSVFG-VIFPVBQESA-N
XLogP2.49
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 94815051) is N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)no1.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is YPOSZVKSJYSVFG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-7-10(13-16-8)11(15)14(6)9(2)12(3,4)5/h7,9H,1-6H3/t9-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94815051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).