N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide

C17H22N2O4S — CID 91798363

IUPACN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
SMILESCc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccsc1
InChIInChI=1S/C17H22N2O4S/c1-11-14(12(2)23-19-11)8-22-16-3-5-21-9-15(16)18-17(20)7-13-4-6-24-10-13/h4,6,10,15-16H,3,5,7-9H2,1-2H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyJBCWACIGHQRWEN-CVEARBPZSA-N
MW350.44 g/mol
LogP2.39
Rot. Bonds6

About N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide

N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide (PubChem CID 91798363) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
PubChem CID91798363
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide
SMILESCc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccsc1
InChIInChI=1S/C17H22N2O4S/c1-11-14(12(2)23-19-11)8-22-16-3-5-21-9-15(16)18-17(20)7-13-4-6-24-10-13/h4,6,10,15-16H,3,5,7-9H2,1-2H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyJBCWACIGHQRWEN-CVEARBPZSA-N
XLogP2.39
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide 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-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 91783291
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-pyridin-2-ylpropanamide
CID 91762820
N-[(3S,4R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 133267712
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91760952
N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-3-thiophen-3-ylpropanamide
CID 91788550
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]acetamide
CID 91769713
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
4-(dimethylamino)-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]benzamide
CID 91793714
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 91781380
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786762
6-amino-N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]pyridine-3-carboxamide
CID 91772240

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide (CID 91798363) is N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide is Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cc1ccsc1.
What is the InChIKey of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide?
The InChIKey is JBCWACIGHQRWEN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11-14(12(2)23-19-11)8-22-16-3-5-21-9-15(16)18-17(20)7-13-4-6-24-10-13/h4,6,10,15-16H,3,5,7-9H2,1-2H3,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide?
N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide has a molecular weight of 350.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-3-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91798363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).