4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide

C19H12F2N4O3 — CID 138589596

IUPAC4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide
SMILESO=C(Nc1ncc2ccc(-c3cnco3)cc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H12F2N4O3/c20-18(21)28-14-5-3-11(4-6-14)17(26)25-19-23-8-13-2-1-12(7-15(13)24-19)16-9-22-10-27-16/h1-10,18H,(H,23,24,25,26)
InChIKeyKUCVAAYXFNZGKA-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.14
Rot. Bonds5

About 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide

4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide (PubChem CID 138589596) has the molecular formula C19H12F2N4O3 and a molecular weight of 382.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide
PubChem CID138589596
Molecular FormulaC19H12F2N4O3
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Name4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide
SMILESO=C(Nc1ncc2ccc(-c3cnco3)cc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H12F2N4O3/c20-18(21)28-14-5-3-11(4-6-14)17(26)25-19-23-8-13-2-1-12(7-15(13)24-19)16-9-22-10-27-16/h1-10,18H,(H,23,24,25,26)
InChIKeyKUCVAAYXFNZGKA-UHFFFAOYSA-N
XLogP4.14
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide (CID 138589596) is 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide is O=C(Nc1ncc2ccc(-c3cnco3)cc2n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide?
The InChIKey is KUCVAAYXFNZGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O3/c20-18(21)28-14-5-3-11(4-6-14)17(26)25-19-23-8-13-2-1-12(7-15(13)24-19)16-9-22-10-27-16/h1-10,18H,(H,23,24,25,26).
What are the key properties of 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide?
4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide has a molecular weight of 382.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]benzamide is sourced from PubChem (CID 138589596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).