N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

C16H13N3O6S — CID 89238764

IUPACN-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2
InChIInChI=1S/C16H13N3O6S/c1-2-14(20)18-15-7-10-8-19(9-13(10)23-15)26(21,22)16-4-3-11(24-16)12-5-6-17-25-12/h2-7H,1,8-9H2,(H,18,20)
InChIKeyRJLZBPKKRJFIDF-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.36
Rot. Bonds5

About N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89238764) has the molecular formula C16H13N3O6S and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89238764
Molecular FormulaC16H13N3O6S
Molecular Weight375.36 g/mol
Exact Mass375.05
IUPAC NameN-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2
InChIInChI=1S/C16H13N3O6S/c1-2-14(20)18-15-7-10-8-19(9-13(10)23-15)26(21,22)16-4-3-11(24-16)12-5-6-17-25-12/h2-7H,1,8-9H2,(H,18,20)
InChIKeyRJLZBPKKRJFIDF-UHFFFAOYSA-N
XLogP2.36
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-cyclopentyloxyphenyl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237448
N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238440
N-[5-(1,3-benzothiazol-6-ylsulfonyl)-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238441
N-[5-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238402
N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238296
[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid
CID 89238579
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237208
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 89239056
N-[1-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
CID 89238487
4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 89238027
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89236220
methyl 5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50955292

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89238764) is N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3ccno3)o1)C2.
What is the InChIKey of N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is RJLZBPKKRJFIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O6S/c1-2-14(20)18-15-7-10-8-19(9-13(10)23-15)26(21,22)16-4-3-11(24-16)12-5-6-17-25-12/h2-7H,1,8-9H2,(H,18,20).
What are the key properties of N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 375.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89238764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).