2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

C18H22N2O2S — CID 94502610

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESCc1nc(SCC(=O)NC[C@H]2CCCc3ccccc32)oc1C
InChIInChI=1S/C18H22N2O2S/c1-12-13(2)22-18(20-12)23-11-17(21)19-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,15H,5,7-8,10-11H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyFFCOPPPXIBEZID-OAHLLOKOSA-N
MW330.45 g/mol
LogP3.62
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (PubChem CID 94502610) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
PubChem CID94502610
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
SMILESCc1nc(SCC(=O)NC[C@H]2CCCc3ccccc32)oc1C
InChIInChI=1S/C18H22N2O2S/c1-12-13(2)22-18(20-12)23-11-17(21)19-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,15H,5,7-8,10-11H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyFFCOPPPXIBEZID-OAHLLOKOSA-N
XLogP3.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 42888995
1,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 126768716
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-phenylacetamide
CID 9456919
N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyridine-2-carboxamide
CID 39991451
2-[(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 26835633
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967
2-(2,4-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 71877563
2-[(2R)-2,4-dimethylpiperazin-1-yl]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 97094354
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95326159

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide (CID 94502610) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is Cc1nc(SCC(=O)NC[C@H]2CCCc3ccccc32)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
The InChIKey is FFCOPPPXIBEZID-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-13(2)22-18(20-12)23-11-17(21)19-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,15H,5,7-8,10-11H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide is sourced from PubChem (CID 94502610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).