2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H21N3O2S — CID 99106839

IUPAC2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C13H21N3O2S/c1-9-6-12(15-18-9)14-13(17)8-16(2)10-4-5-11(7-10)19-3/h6,10-11H,4-5,7-8H2,1-3H3,(H,14,15,17)/t10-,11-/m1/s1
InChIKeyBZYNUJYORWBVNB-GHMZBOCLSA-N
MW283.40 g/mol
LogP2.14
Rot. Bonds5

About 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 99106839) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID99106839
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C13H21N3O2S/c1-9-6-12(15-18-9)14-13(17)8-16(2)10-4-5-11(7-10)19-3/h6,10-11H,4-5,7-8H2,1-3H3,(H,14,15,17)/t10-,11-/m1/s1
InChIKeyBZYNUJYORWBVNB-GHMZBOCLSA-N
XLogP2.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607199
N-cyclopropyl-2,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 42768935
N-cyclopropyl-3,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 42768931
N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 814043
N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768746
2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 3538590
N-(3-cyanophenyl)-2-[methyl-(3-methylsulfanylcyclopentyl)amino]acetamide
CID 71986559
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
2-[benzenesulfonyl(cyclopropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813856
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
3-bromo-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3456125

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 99106839) is 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cc(C)on2)C1.
What is the InChIKey of 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is BZYNUJYORWBVNB-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-6-12(15-18-9)14-13(17)8-16(2)10-4-5-11(7-10)19-3/h6,10-11H,4-5,7-8H2,1-3H3,(H,14,15,17)/t10-,11-/m1/s1.
What are the key properties of 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 283.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 99106839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).