3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide

C17H20N4O4S — CID 16671800

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H](C)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C17H20N4O4S/c1-10(18-15(22)7-6-13-11(2)20-25-12(13)3)9-21-17(23)24-16(19-21)14-5-4-8-26-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m0/s1
InChIKeyDSIRBPAXVUGXKJ-JTQLQIEISA-N
MW376.44 g/mol
LogP2.31
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide (PubChem CID 16671800) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
PubChem CID16671800
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@@H](C)Cn1nc(-c2cccs2)oc1=O
InChIInChI=1S/C17H20N4O4S/c1-10(18-15(22)7-6-13-11(2)20-25-12(13)3)9-21-17(23)24-16(19-21)14-5-4-8-26-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m0/s1
InChIKeyDSIRBPAXVUGXKJ-JTQLQIEISA-N
XLogP2.31
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide 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-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
3,5-dimethyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,2-oxazole-4-carboxamide
CID 95791881
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide
CID 46959036
3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 119033318
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 17471969
3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 95849400
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 121036983
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 18096150

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide (CID 16671800) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide is Cc1noc(C)c1CCC(=O)N[C@@H](C)Cn1nc(-c2cccs2)oc1=O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide?
The InChIKey is DSIRBPAXVUGXKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-10(18-15(22)7-6-13-11(2)20-25-12(13)3)9-21-17(23)24-16(19-21)14-5-4-8-26-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide has a molecular weight of 376.44 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide is sourced from PubChem (CID 16671800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).