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

C13H14N4O5S — CID 40727991

IUPAC2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NNC(=O)c2ccco2)no1
InChIInChI=1S/C13H14N4O5S/c1-8-5-10(17-22-8)14-11(18)6-23-7-12(19)15-16-13(20)9-3-2-4-21-9/h2-5H,6-7H2,1H3,(H,15,19)(H,16,20)(H,14,17,18)
InChIKeyDDQRMNZVUSPWGQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP0.71
Rot. Bonds6

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

2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 40727991) has the molecular formula C13H14N4O5S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID40727991
Molecular FormulaC13H14N4O5S
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NNC(=O)c2ccco2)no1
InChIInChI=1S/C13H14N4O5S/c1-8-5-10(17-22-8)14-11(18)6-23-7-12(19)15-16-13(20)9-3-2-4-21-9/h2-5H,6-7H2,1H3,(H,15,19)(H,16,20)(H,14,17,18)
InChIKeyDDQRMNZVUSPWGQ-UHFFFAOYSA-N
XLogP0.71
TPSA126.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 50.71
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-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9476583
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31470349
N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34753814
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 9314271
N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 2300970
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-pyridin-4-ylacetamide
CID 32921547
2-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30160191
(4-methylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466617
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9466798

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 40727991) is 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCC(=O)NNC(=O)c2ccco2)no1.
What is the InChIKey of 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DDQRMNZVUSPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S/c1-8-5-10(17-22-8)14-11(18)6-23-7-12(19)15-16-13(20)9-3-2-4-21-9/h2-5H,6-7H2,1H3,(H,15,19)(H,16,20)(H,14,17,18).
What are the key properties of 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 338.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 40727991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).