2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C17H18N4O3S — CID 46687931

IUPAC2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccc(-n2ccnc2SC(C)C(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C17H18N4O3S/c1-11-10-15(24-20-11)19-16(22)12(2)25-17-18-8-9-21(17)13-4-6-14(23-3)7-5-13/h4-10,12H,1-3H3,(H,19,22)
InChIKeyKPQARLNQHCGWSA-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.30
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 46687931) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID46687931
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCOc1ccc(-n2ccnc2SC(C)C(=O)Nc2cc(C)no2)cc1
InChIInChI=1S/C17H18N4O3S/c1-11-10-15(24-20-11)19-16(22)12(2)25-17-18-8-9-21(17)13-4-6-14(23-3)7-5-13/h4-10,12H,1-3H3,(H,19,22)
InChIKeyKPQARLNQHCGWSA-UHFFFAOYSA-N
XLogP3.30
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide with MolForge

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Related Compounds

(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
(2R)-2-(4-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 26028746
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 27959873
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423839
(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40506992
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 41216514
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 41156326
ethyl 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoate
CID 60600653
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46677194

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 46687931) is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is COc1ccc(-n2ccnc2SC(C)C(=O)Nc2cc(C)no2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is KPQARLNQHCGWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-10-15(24-20-11)19-16(22)12(2)25-17-18-8-9-21(17)13-4-6-14(23-3)7-5-13/h4-10,12H,1-3H3,(H,19,22).
What are the key properties of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 358.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 46687931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).