3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

C11H18N2O2 — CID 47728425

IUPAC3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CNC(=O)CC(C)(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-8-5-9(13-15-8)7-12-10(14)6-11(2,3)4/h5H,6-7H2,1-4H3,(H,12,14)
InChIKeyPUZGHZAOZJGNLS-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.04
Rot. Bonds3

About 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide

3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (PubChem CID 47728425) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
PubChem CID47728425
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
SMILESCc1cc(CNC(=O)CC(C)(C)C)no1
InChIInChI=1S/C11H18N2O2/c1-8-5-9(13-15-8)7-12-10(14)6-11(2,3)4/h5H,6-7H2,1-4H3,(H,12,14)
InChIKeyPUZGHZAOZJGNLS-UHFFFAOYSA-N
XLogP2.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
3-(4-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47729327
methyl (3R)-3-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentanoate
CID 97095472
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide (CID 47728425) is 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is Cc1cc(CNC(=O)CC(C)(C)C)no1.
What is the InChIKey of 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
The InChIKey is PUZGHZAOZJGNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-5-9(13-15-8)7-12-10(14)6-11(2,3)4/h5H,6-7H2,1-4H3,(H,12,14).
What are the key properties of 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide?
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide is sourced from PubChem (CID 47728425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).