N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide

C13H21N3O3 — CID 4051213

IUPACN-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)Nc1ccon1)C(=O)CC(C)(C)C
InChIInChI=1S/C13H21N3O3/c1-5-16(12(18)8-13(2,3)4)9-11(17)14-10-6-7-19-15-10/h6-7H,5,8-9H2,1-4H3,(H,14,15,17)
InChIKeyRJJYEHHBKQVLNT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.90
Rot. Bonds5

About N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide

N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide (PubChem CID 4051213) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide
PubChem CID4051213
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)Nc1ccon1)C(=O)CC(C)(C)C
InChIInChI=1S/C13H21N3O3/c1-5-16(12(18)8-13(2,3)4)9-11(17)14-10-6-7-19-15-10/h6-7H,5,8-9H2,1-4H3,(H,14,15,17)
InChIKeyRJJYEHHBKQVLNT-UHFFFAOYSA-N
XLogP1.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 814450
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 814456
N-ethyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 814467
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 814489
(3R)-3,5,5-trimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylhexanamide
CID 7301914
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
3-chloro-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
CID 4114305
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide?
The IUPAC name of N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide (CID 4051213) is N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide?
The canonical SMILES for N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide is CCN(CC(=O)Nc1ccon1)C(=O)CC(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide?
The InChIKey is RJJYEHHBKQVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-16(12(18)8-13(2,3)4)9-11(17)14-10-6-7-19-15-10/h6-7H,5,8-9H2,1-4H3,(H,14,15,17).
What are the key properties of N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide?
N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide has a molecular weight of 267.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 4051213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).