N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide

C17H21N3O2S — CID 99931448

IUPACN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCCC1=NO[C@H](CNC(=O)CSc2cn(C)c3ccccc23)C1
InChIInChI=1S/C17H21N3O2S/c1-3-12-8-13(22-19-12)9-18-17(21)11-23-16-10-20(2)15-7-5-4-6-14(15)16/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyFHCNYNFFNMXAPG-ZDUSSCGKSA-N
MW331.44 g/mol
LogP2.94
Rot. Bonds6

About N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide

N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide (PubChem CID 99931448) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide
PubChem CID99931448
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCCC1=NO[C@H](CNC(=O)CSc2cn(C)c3ccccc23)C1
InChIInChI=1S/C17H21N3O2S/c1-3-12-8-13(22-19-12)9-18-17(21)11-23-16-10-20(2)15-7-5-4-6-14(15)16/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyFHCNYNFFNMXAPG-ZDUSSCGKSA-N
XLogP2.94
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide
CID 99931449
3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide
CID 46988882
2-(1-methylindol-3-yl)sulfanyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 119071282
2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 119069253
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-propylacetamide
CID 20902720
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-propylacetamide
CID 27636487
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 70714137
4-ethoxy-N-[2-[3-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 41050466
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 20902541
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
1-[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(1-methylindol-3-yl)sulfanylethanone
CID 91791718

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide (CID 99931448) is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide is CCC1=NO[C@H](CNC(=O)CSc2cn(C)c3ccccc23)C1.
What is the InChIKey of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide?
The InChIKey is FHCNYNFFNMXAPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-12-8-13(22-19-12)9-18-17(21)11-23-16-10-20(2)15-7-5-4-6-14(15)16/h4-7,10,13H,3,8-9,11H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide?
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(1-methylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 99931448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).