5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione

C14H10IN3O3 — CID 162342742

IUPAC5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(-c3cnco3)cc2)cc1I
InChIInChI=1S/C14H10IN3O3/c15-11-7-18(14(20)17-13(11)19)6-9-1-3-10(4-2-9)12-5-16-8-21-12/h1-5,7-8H,6H2,(H,17,19,20)
InChIKeyFUMGKGZQYAUAEO-UHFFFAOYSA-N
MW395.16 g/mol
LogP1.84
Rot. Bonds3

About 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione

5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 162342742) has the molecular formula C14H10IN3O3 and a molecular weight of 395.16 g/mol. Its IUPAC name is 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID162342742
Molecular FormulaC14H10IN3O3
Molecular Weight395.16 g/mol
Exact Mass394.98
IUPAC Name5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(-c3cnco3)cc2)cc1I
InChIInChI=1S/C14H10IN3O3/c15-11-7-18(14(20)17-13(11)19)6-9-1-3-10(4-2-9)12-5-16-8-21-12/h1-5,7-8H,6H2,(H,17,19,20)
InChIKeyFUMGKGZQYAUAEO-UHFFFAOYSA-N
XLogP1.84
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione (CID 162342742) is 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(-c3cnco3)cc2)cc1I.
What is the InChIKey of 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is FUMGKGZQYAUAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O3/c15-11-7-18(14(20)17-13(11)19)6-9-1-3-10(4-2-9)12-5-16-8-21-12/h1-5,7-8H,6H2,(H,17,19,20).
What are the key properties of 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione?
5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 395.16 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[[4-(1,3-oxazol-5-yl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 162342742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).