N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

C16H21N3O3S — CID 129471925

IUPACN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(C)c1noc([C@H](NC(=O)c2cccs2)C2CCOCC2)n1
InChIInChI=1S/C16H21N3O3S/c1-10(2)14-18-16(22-19-14)13(11-5-7-21-8-6-11)17-15(20)12-4-3-9-23-12/h3-4,9-11,13H,5-8H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyGKWHXFMPOMDLIG-CYBMUJFWSA-N
MW335.43 g/mol
LogP3.15
Rot. Bonds5

About N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide

N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 129471925) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID129471925
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCC(C)c1noc([C@H](NC(=O)c2cccs2)C2CCOCC2)n1
InChIInChI=1S/C16H21N3O3S/c1-10(2)14-18-16(22-19-14)13(11-5-7-21-8-6-11)17-15(20)12-4-3-9-23-12/h3-4,9-11,13H,5-8H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyGKWHXFMPOMDLIG-CYBMUJFWSA-N
XLogP3.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide 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

(2R)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
CID 129471846
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
CID 129003546
4-methyl-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 129472303
3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129326912
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
3,5-dimethyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 128973953
3,5-dimethyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129326497
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 128994165
1-hydroxy-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 129326237
3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
CID 128966227
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
1-[(2S,3R)-2-methyloxolan-3-yl]-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129342076

Frequently Asked Questions

What is the IUPAC name of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide (CID 129471925) is N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide is CC(C)c1noc([C@H](NC(=O)c2cccs2)C2CCOCC2)n1.
What is the InChIKey of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is GKWHXFMPOMDLIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-10(2)14-18-16(22-19-14)13(11-5-7-21-8-6-11)17-15(20)12-4-3-9-23-12/h3-4,9-11,13H,5-8H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide?
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 129471925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).