3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one

C21H20N4O3 — CID 17484896

IUPAC3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one
SMILESCc1cc(-n2c(C)cc(C(=O)Cn3c(C)nc4ccccc4c3=O)c2C)no1
InChIInChI=1S/C21H20N4O3/c1-12-9-17(14(3)25(12)20-10-13(2)28-23-20)19(26)11-24-15(4)22-18-8-6-5-7-16(18)21(24)27/h5-10H,11H2,1-4H3
InChIKeyBUCGNHSFWVYZGO-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.29
Rot. Bonds4

About 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one

3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one (PubChem CID 17484896) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one
PubChem CID17484896
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one
SMILESCc1cc(-n2c(C)cc(C(=O)Cn3c(C)nc4ccccc4c3=O)c2C)no1
InChIInChI=1S/C21H20N4O3/c1-12-9-17(14(3)25(12)20-10-13(2)28-23-20)19(26)11-24-15(4)22-18-8-6-5-7-16(18)21(24)27/h5-10H,11H2,1-4H3
InChIKeyBUCGNHSFWVYZGO-UHFFFAOYSA-N
XLogP3.29
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one (CID 17484896) is 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one is Cc1cc(-n2c(C)cc(C(=O)Cn3c(C)nc4ccccc4c3=O)c2C)no1.
What is the InChIKey of 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
The InChIKey is BUCGNHSFWVYZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-9-17(14(3)25(12)20-10-13(2)28-23-20)19(26)11-24-15(4)22-18-8-6-5-7-16(18)21(24)27/h5-10H,11H2,1-4H3.
What are the key properties of 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one?
3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one has a molecular weight of 376.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 17484896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).