3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C24H24N4O4 — CID 135697600

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C24H24N4O4/c1-4-28(13-22-25-21-11-6-5-10-19(21)23(29)26-22)24(30)17-8-7-9-18(12-17)31-14-20-15(2)27-32-16(20)3/h5-12H,4,13-14H2,1-3H3,(H,25,26,29)
InChIKeyWORVIXNPEBUEGY-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.77
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 135697600) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID135697600
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OCc2c(C)noc2C)c1
InChIInChI=1S/C24H24N4O4/c1-4-28(13-22-25-21-11-6-5-10-19(21)23(29)26-22)24(30)17-8-7-9-18(12-17)31-14-20-15(2)27-32-16(20)3/h5-12H,4,13-14H2,1-3H3,(H,25,26,29)
InChIKeyWORVIXNPEBUEGY-UHFFFAOYSA-N
XLogP3.77
TPSA101.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 135697600) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(OCc2c(C)noc2C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is WORVIXNPEBUEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-28(13-22-25-21-11-6-5-10-19(21)23(29)26-22)24(30)17-8-7-9-18(12-17)31-14-20-15(2)27-32-16(20)3/h5-12H,4,13-14H2,1-3H3,(H,25,26,29).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 135697600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).