(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one

C18H13N3O5 — CID 7023487

IUPAC(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)no1
InChIInChI=1S/C18H13N3O5/c1-10-8-13(20-26-10)21-15(11-4-2-6-19-9-11)14(17(23)18(21)24)16(22)12-5-3-7-25-12/h2-9,15,23H,1H3/t15-/m0/s1
InChIKeyDPDDARBOGDKAPW-HNNXBMFYSA-N
MW351.32 g/mol
LogP2.75
Rot. Bonds4

About (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 7023487) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID7023487
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)no1
InChIInChI=1S/C18H13N3O5/c1-10-8-13(20-26-10)21-15(11-4-2-6-19-9-11)14(17(23)18(21)24)16(22)12-5-3-7-25-12/h2-9,15,23H,1H3/t15-/m0/s1
InChIKeyDPDDARBOGDKAPW-HNNXBMFYSA-N
XLogP2.75
TPSA109.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7697036
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3718935
(2S)-2-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7695989
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630457
3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
CID 3382341
3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 3835066
(2R)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 7697640
1-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591121
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108673423
N-[3-[3-(furan-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-3-yl-2H-pyrrol-1-yl]phenyl]acetamide
CID 108592077
1-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108725120
2-(4-butoxy-3-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3785407

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 7023487) is (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccnc2)no1.
What is the InChIKey of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is DPDDARBOGDKAPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H13N3O5/c1-10-8-13(20-26-10)21-15(11-4-2-6-19-9-11)14(17(23)18(21)24)16(22)12-5-3-7-25-12/h2-9,15,23H,1H3/t15-/m0/s1.
What are the key properties of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 351.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 7023487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).