3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide

C11H19N3O2 — CID 106417021

IUPAC3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
SMILESCC(C)(C)C(N)CC(=O)NCc1ccno1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9(12)6-10(15)13-7-8-4-5-14-16-8/h4-5,9H,6-7,12H2,1-3H3,(H,13,15)
InChIKeyAVXITMXGVFCCMW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide

3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide (PubChem CID 106417021) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
PubChem CID106417021
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
SMILESCC(C)(C)C(N)CC(=O)NCc1ccno1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)9(12)6-10(15)13-7-8-4-5-14-16-8/h4-5,9H,6-7,12H2,1-3H3,(H,13,15)
InChIKeyAVXITMXGVFCCMW-UHFFFAOYSA-N
XLogP1.05
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1,2-oxazol-5-ylmethyl)hexanamide
CID 106417077
2-(tert-butylamino)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600446
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
(2S)-2-amino-4-methyl-N-(1,2-oxazol-5-ylmethyl)pentanamide
CID 106416982
2-(ethylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106417135
3-methyl-3-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421030
2-methyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106420969
6-(1,2-oxazol-5-ylmethylamino)-6-oxohexanoic acid
CID 106414801
2-(2-aminoethoxy)-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 106417066
(2S)-2-amino-4-methylsulfanyl-N-(1,2-oxazol-5-ylmethyl)butanamide
CID 106417251

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The IUPAC name of 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide (CID 106417021) is 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide.
What is the SMILES notation for 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The canonical SMILES for 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide is CC(C)(C)C(N)CC(=O)NCc1ccno1.
What is the InChIKey of 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
The InChIKey is AVXITMXGVFCCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)9(12)6-10(15)13-7-8-4-5-14-16-8/h4-5,9H,6-7,12H2,1-3H3,(H,13,15).
What are the key properties of 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide?
3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide has a molecular weight of 225.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-N-(1,2-oxazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 106417021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).