5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole

C19H22N4O — CID 121256019

IUPAC5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
SMILESCC(C)CCc1nc(N2CCC2)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C19H22N4O/c1-13(2)4-7-18-21-16-6-5-14(17-11-20-12-24-17)10-15(16)19(22-18)23-8-3-9-23/h5-6,10-13H,3-4,7-9H2,1-2H3
InChIKeyHZNJADHOVPEDGZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.08
Rot. Bonds5

About 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole

5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole (PubChem CID 121256019) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
PubChem CID121256019
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
SMILESCC(C)CCc1nc(N2CCC2)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C19H22N4O/c1-13(2)4-7-18-21-16-6-5-14(17-11-20-12-24-17)10-15(16)19(22-18)23-8-3-9-23/h5-6,10-13H,3-4,7-9H2,1-2H3
InChIKeyHZNJADHOVPEDGZ-UHFFFAOYSA-N
XLogP4.08
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The IUPAC name of 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole (CID 121256019) is 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole.
What is the SMILES notation for 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The canonical SMILES for 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole is CC(C)CCc1nc(N2CCC2)c2cc(-c3cnco3)ccc2n1.
What is the InChIKey of 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The InChIKey is HZNJADHOVPEDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)4-7-18-21-16-6-5-14(17-11-20-12-24-17)10-15(16)19(22-18)23-8-3-9-23/h5-6,10-13H,3-4,7-9H2,1-2H3.
What are the key properties of 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole has a molecular weight of 322.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(azetidin-1-yl)-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole is sourced from PubChem (CID 121256019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).