2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C15H18N4O5S — CID 42906269

IUPAC2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NNC(=O)c2ccoc2C)no1
InChIInChI=1S/C15H18N4O5S/c1-8-6-12(19-24-8)16-14(21)10(3)25-7-13(20)17-18-15(22)11-4-5-23-9(11)2/h4-6,10H,7H2,1-3H3,(H,17,20)(H,18,22)(H,16,19,21)
InChIKeyHOGJLFRIEOXQRO-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.41
Rot. Bonds6

About 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 42906269) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID42906269
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Name2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)NNC(=O)c2ccoc2C)no1
InChIInChI=1S/C15H18N4O5S/c1-8-6-12(19-24-8)16-14(21)10(3)25-7-13(20)17-18-15(22)11-4-5-23-9(11)2/h4-6,10H,7H2,1-3H3,(H,17,20)(H,18,22)(H,16,19,21)
InChIKeyHOGJLFRIEOXQRO-UHFFFAOYSA-N
XLogP1.41
TPSA126.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9476646
(2R)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9476645
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-phenylhydrazinyl)ethyl]sulfanylpropanamide
CID 78774726
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7733721
2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]-N-propan-2-ylbenzamide
CID 55672687
(2S)-2-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9472073
2-[2-(methoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51074464
2-[2-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46799225
2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17408045
2-[2-(ethoxyamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47129265
(2R)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40714205
2-[2-[3-(methylamino)propylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119434077

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 42906269) is 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)SCC(=O)NNC(=O)c2ccoc2C)no1.
What is the InChIKey of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HOGJLFRIEOXQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-8-6-12(19-24-8)16-14(21)10(3)25-7-13(20)17-18-15(22)11-4-5-23-9(11)2/h4-6,10H,7H2,1-3H3,(H,17,20)(H,18,22)(H,16,19,21).
What are the key properties of 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 366.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 42906269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).