N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C18H24N2O2S — CID 119099345

IUPACN-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCc1cc(CCCNC(=O)Cc2ccc(SC(C)C)cc2)on1
InChIInChI=1S/C18H24N2O2S/c1-13(2)23-17-8-6-15(7-9-17)12-18(21)19-10-4-5-16-11-14(3)20-22-16/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,19,21)
InChIKeyOPTBDDLPGYVLSR-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.78
Rot. Bonds8

About N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 119099345) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID119099345
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCc1cc(CCCNC(=O)Cc2ccc(SC(C)C)cc2)on1
InChIInChI=1S/C18H24N2O2S/c1-13(2)23-17-8-6-15(7-9-17)12-18(21)19-10-4-5-16-11-14(3)20-22-16/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,19,21)
InChIKeyOPTBDDLPGYVLSR-UHFFFAOYSA-N
XLogP3.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]acetamide
CID 121016619
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 49082852
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide
CID 115152034
N-methyl-3-(3-methyl-1,2-oxazol-5-yl)propan-1-amine
CID 177319850
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid
CID 71019277
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 119099345) is N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is Cc1cc(CCCNC(=O)Cc2ccc(SC(C)C)cc2)on1.
What is the InChIKey of N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is OPTBDDLPGYVLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13(2)23-17-8-6-15(7-9-17)12-18(21)19-10-4-5-16-11-14(3)20-22-16/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 119099345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).