N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide

C12H18N2O3 — CID 136517618

IUPACN-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2ccon2)CCO1
InChIInChI=1S/C12H18N2O3/c1-12(2)8-10(3-5-16-12)13-11(15)7-9-4-6-17-14-9/h4,6,10H,3,5,7-8H2,1-2H3,(H,13,15)
InChIKeyJSNJHXSSGIVOQP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.29
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide

N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 136517618) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
PubChem CID136517618
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2ccon2)CCO1
InChIInChI=1S/C12H18N2O3/c1-12(2)8-10(3-5-16-12)13-11(15)7-9-4-6-17-14-9/h4,6,10H,3,5,7-8H2,1-2H3,(H,13,15)
InChIKeyJSNJHXSSGIVOQP-UHFFFAOYSA-N
XLogP1.29
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-oxaspiro[5.5]undecan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71968225
2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52902429
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 96544646
(3S)-N-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 895409
(3S)-N-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 895410
N-(oxan-4-yl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178209
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
CID 83034462
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 83039304

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide (CID 136517618) is N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide is CC1(C)CC(NC(=O)Cc2ccon2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is JSNJHXSSGIVOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2)8-10(3-5-16-12)13-11(15)7-9-4-6-17-14-9/h4,6,10H,3,5,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide?
N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 136517618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).