(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide

C14H25N3O2 — CID 71983339

IUPAC(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)c1cnc(CN[C@H](C(N)=O)C(C)(C)C)o1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)9-7-16-10(19-9)8-17-11(12(15)18)14(4,5)6/h7,11,17H,8H2,1-6H3,(H2,15,18)/t11-/m1/s1
InChIKeyAVXPZMAJZRZDGQ-LLVKDONJSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds4

About (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide

(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide (PubChem CID 71983339) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
PubChem CID71983339
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)c1cnc(CN[C@H](C(N)=O)C(C)(C)C)o1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)9-7-16-10(19-9)8-17-11(12(15)18)14(4,5)6/h7,11,17H,8H2,1-6H3,(H2,15,18)/t11-/m1/s1
InChIKeyAVXPZMAJZRZDGQ-LLVKDONJSA-N
XLogP1.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide (CID 71983339) is (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide is CC(C)(C)c1cnc(CN[C@H](C(N)=O)C(C)(C)C)o1.
What is the InChIKey of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide?
The InChIKey is AVXPZMAJZRZDGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)9-7-16-10(19-9)8-17-11(12(15)18)14(4,5)6/h7,11,17H,8H2,1-6H3,(H2,15,18)/t11-/m1/s1.
What are the key properties of (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide?
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethylbutanamide is sourced from PubChem (CID 71983339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).