2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

C19H18N4O3 — CID 2548804

IUPAC2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)COn2nnc3ccccc32)c(C)n1Cc1ccco1
InChIInChI=1S/C19H18N4O3/c1-13-10-16(14(2)22(13)11-15-6-5-9-25-15)19(24)12-26-23-18-8-4-3-7-17(18)20-21-23/h3-10H,11-12H2,1-2H3
InChIKeyNPIOJYHBTQKGMZ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.80
Rot. Bonds6

About 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone (PubChem CID 2548804) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
PubChem CID2548804
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)COn2nnc3ccccc32)c(C)n1Cc1ccco1
InChIInChI=1S/C19H18N4O3/c1-13-10-16(14(2)22(13)11-15-6-5-9-25-15)19(24)12-26-23-18-8-4-3-7-17(18)20-21-23/h3-10H,11-12H2,1-2H3
InChIKeyNPIOJYHBTQKGMZ-UHFFFAOYSA-N
XLogP2.80
TPSA75.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenoxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 7815844
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 3652463
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone
CID 4883136
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 3332687
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8657041
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methylbenzoate
CID 2659530
4-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzonitrile
CID 7503229
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chlorobenzoate
CID 2653715
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 4682794
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 4038795
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 8606513

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone (CID 2548804) is 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone is Cc1cc(C(=O)COn2nnc3ccccc32)c(C)n1Cc1ccco1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The InChIKey is NPIOJYHBTQKGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-10-16(14(2)22(13)11-15-6-5-9-25-15)19(24)12-26-23-18-8-4-3-7-17(18)20-21-23/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone has a molecular weight of 350.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 2548804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).