2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide

C13H21N3O3 — CID 79241619

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCc1noc(C)c1CNCC(=O)NC1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-16-9)7-14-8-13(17)15-11-3-5-18-6-4-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyXWBBROXSPVJWSM-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.68
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide (PubChem CID 79241619) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide
PubChem CID79241619
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide
SMILESCc1noc(C)c1CNCC(=O)NC1CCOCC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-16-9)7-14-8-13(17)15-11-3-5-18-6-4-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyXWBBROXSPVJWSM-UHFFFAOYSA-N
XLogP0.68
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
CID 79241622
N-(oxan-4-yl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81178209
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylacetamide
CID 43214592
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylacetamide
CID 171146257
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
CID 60812133
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-[(5-ethylthiophen-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106010838
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-phenylcyclohexyl)acetamide
CID 51646513

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide (CID 79241619) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide is Cc1noc(C)c1CNCC(=O)NC1CCOCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is XWBBROXSPVJWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-12(10(2)19-16-9)7-14-8-13(17)15-11-3-5-18-6-4-11/h11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 79241619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).