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

C16H16ClN3O — CID 121255861

IUPAC5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
SMILESCC(C)CCc1nc(Cl)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C16H16ClN3O/c1-10(2)3-6-15-19-13-5-4-11(14-8-18-9-21-14)7-12(13)16(17)20-15/h4-5,7-10H,3,6H2,1-2H3
InChIKeyGITMBLXVBUIRKG-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.53
Rot. Bonds4

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

5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole (PubChem CID 121255861) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
PubChem CID121255861
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
SMILESCC(C)CCc1nc(Cl)c2cc(-c3cnco3)ccc2n1
InChIInChI=1S/C16H16ClN3O/c1-10(2)3-6-15-19-13-5-4-11(14-8-18-9-21-14)7-12(13)16(17)20-15/h4-5,7-10H,3,6H2,1-2H3
InChIKeyGITMBLXVBUIRKG-UHFFFAOYSA-N
XLogP4.53
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The IUPAC name of 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole (CID 121255861) is 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole.
What is the SMILES notation for 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The canonical SMILES for 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole is CC(C)CCc1nc(Cl)c2cc(-c3cnco3)ccc2n1.
What is the InChIKey of 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
The InChIKey is GITMBLXVBUIRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10(2)3-6-15-19-13-5-4-11(14-8-18-9-21-14)7-12(13)16(17)20-15/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole?
5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole has a molecular weight of 301.78 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole is sourced from PubChem (CID 121255861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).