3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one

C17H13N5O4 — CID 4297609

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one
SMILESCn1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2)n1
InChIInChI=1S/C17H13N5O4/c1-21-19-17(18-20-21)22-13(10-6-3-2-4-7-10)12(15(24)16(22)25)14(23)11-8-5-9-26-11/h2-9,13,24H,1H3
InChIKeyCDHOVXGQCCAHMK-UHFFFAOYSA-N
MW351.32 g/mol
LogP1.59
Rot. Bonds4

About 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 4297609) has the molecular formula C17H13N5O4 and a molecular weight of 351.32 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one
PubChem CID4297609
Molecular FormulaC17H13N5O4
Molecular Weight351.32 g/mol
Exact Mass351.10
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one
SMILESCn1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2)n1
InChIInChI=1S/C17H13N5O4/c1-21-19-17(18-20-21)22-13(10-6-3-2-4-7-10)12(15(24)16(22)25)14(23)11-8-5-9-26-11/h2-9,13,24H,1H3
InChIKeyCDHOVXGQCCAHMK-UHFFFAOYSA-N
XLogP1.59
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione
CID 3420439
1-(2,5-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638729
1-(2,4-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639407
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108678293
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598213
(2S)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 40969311
2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108581182
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630457
1-(3-chloro-4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598387
3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108647648
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 3811046

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one (CID 4297609) is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one is Cn1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccccc2)n1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is CDHOVXGQCCAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4/c1-21-19-17(18-20-21)22-13(10-6-3-2-4-7-10)12(15(24)16(22)25)14(23)11-8-5-9-26-11/h2-9,13,24H,1H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 351.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-methyltetrazol-5-yl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 4297609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).