3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

C17H19N3O3S2 — CID 92563893

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCOc1cc(CCC(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)on1
InChIInChI=1S/C17H19N3O3S2/c1-11-9-25-17(18-11)14(7-12-5-6-24-10-12)19-15(21)4-3-13-8-16(22-2)20-23-13/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyWJIOXXRNBGRKGE-AWEZNQCLSA-N
MW377.49 g/mol
LogP3.54
Rot. Bonds8

About 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide

3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (PubChem CID 92563893) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
PubChem CID92563893
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCOc1cc(CCC(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)on1
InChIInChI=1S/C17H19N3O3S2/c1-11-9-25-17(18-11)14(7-12-5-6-24-10-12)19-15(21)4-3-13-8-16(22-2)20-23-13/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyWJIOXXRNBGRKGE-AWEZNQCLSA-N
XLogP3.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563894
3-(3-methoxy-1,2-oxazol-5-yl)-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)propanamide
CID 110222177
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
CID 46955487
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 92563903
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1,2-oxazol-5-yl)propanamide
CID 92597569
(3R)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-pyrazol-1-ylbutanamide
CID 92563878
(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide
CID 92563868
cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 124803175
1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-6-oxopyridine-3-carboxamide
CID 110221963
N-(1-hydroxy-3-methylbutan-2-yl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 91636635
(1S,2R,4R)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98072272
3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
CID 110221950

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide (CID 92563893) is 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is COc1cc(CCC(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is WJIOXXRNBGRKGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-11-9-25-17(18-11)14(7-12-5-6-24-10-12)19-15(21)4-3-13-8-16(22-2)20-23-13/h5-6,8-10,14H,3-4,7H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide?
3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 92563893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).