2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide

C12H15N3O2S — CID 115287476

IUPAC2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1noc(C)c1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C12H15N3O2S/c1-7-9(8(2)17-15-7)6-14-12(16)11(13)10-4-3-5-18-10/h3-5,11H,6,13H2,1-2H3,(H,14,16)
InChIKeyWWNDUCIAOZPBLY-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.67
Rot. Bonds4

About 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide

2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 115287476) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID115287476
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1noc(C)c1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C12H15N3O2S/c1-7-9(8(2)17-15-7)6-14-12(16)11(13)10-4-3-5-18-10/h3-5,11H,6,13H2,1-2H3,(H,14,16)
InChIKeyWWNDUCIAOZPBLY-UHFFFAOYSA-N
XLogP1.67
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085
2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
CID 115287220
2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236983
2-amino-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 115285808
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 52691160
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113
4-amino-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-oxopentanoic acid
CID 79235985

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide (CID 115287476) is 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide is Cc1noc(C)c1CNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is WWNDUCIAOZPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-9(8(2)17-15-7)6-14-12(16)11(13)10-4-3-5-18-10/h3-5,11H,6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide?
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 265.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).