N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide

C17H17N3O3S — CID 42566769

IUPACN-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCSCCNC(=O)c1cc(COc2cccc3cccnc23)on1
InChIInChI=1S/C17H17N3O3S/c1-24-9-8-19-17(21)14-10-13(23-20-14)11-22-15-6-2-4-12-5-3-7-18-16(12)15/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyKKDGNNSUOBFQIL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.89
Rot. Bonds7

About N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide

N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42566769) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID42566769
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCSCCNC(=O)c1cc(COc2cccc3cccnc23)on1
InChIInChI=1S/C17H17N3O3S/c1-24-9-8-19-17(21)14-10-13(23-20-14)11-22-15-6-2-4-12-5-3-7-18-16(12)15/h2-7,10H,8-9,11H2,1H3,(H,19,21)
InChIKeyKKDGNNSUOBFQIL-UHFFFAOYSA-N
XLogP2.89
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)ethyl]-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42382062
5-[(2,6-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 42564641
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 126460362
N-methyl-5-(quinolin-8-yloxymethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxamide
CID 45240952
methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 26406157
5-(furan-2-yl)-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
CID 90579599
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 26322660
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 24791966
(4-cyclopentylpiperazin-1-yl)-[5-(quinolin-8-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 42216229
5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63649744
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
ethyl 2-[(3S)-4-[5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carbonyl]morpholin-3-yl]acetate
CID 25380946

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 42566769) is N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide is CSCCNC(=O)c1cc(COc2cccc3cccnc23)on1.
What is the InChIKey of N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KKDGNNSUOBFQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24-9-8-19-17(21)14-10-13(23-20-14)11-22-15-6-2-4-12-5-3-7-18-16(12)15/h2-7,10H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42566769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).