[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C19H18N4O5 — CID 55646855

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Cn2cccn2)o1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H18N4O5/c24-17(22-19(26)20-11-14-5-2-1-3-6-14)13-27-18(25)16-8-7-15(28-16)12-23-10-4-9-21-23/h1-10H,11-13H2,(H2,20,22,24,26)
InChIKeyDPCLBFUAGBLDPP-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.71
Rot. Bonds7

About [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55646855) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID55646855
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Cn2cccn2)o1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H18N4O5/c24-17(22-19(26)20-11-14-5-2-1-3-6-14)13-27-18(25)16-8-7-15(28-16)12-23-10-4-9-21-23/h1-10H,11-13H2,(H2,20,22,24,26)
InChIKeyDPCLBFUAGBLDPP-UHFFFAOYSA-N
XLogP1.71
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646580
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646805
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 35760199
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646701
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(2-chlorophenyl)furan-2-carboxylate
CID 29498868
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646764
[2-(benzylcarbamoylamino)-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522760
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646699
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646456
2-O-[2-(benzylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506533
(5-chlorothiadiazol-4-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646489

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55646855) is [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is O=C(COC(=O)c1ccc(Cn2cccn2)o1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is DPCLBFUAGBLDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c24-17(22-19(26)20-11-14-5-2-1-3-6-14)13-27-18(25)16-8-7-15(28-16)12-23-10-4-9-21-23/h1-10H,11-13H2,(H2,20,22,24,26).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 382.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55646855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).