2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

C13H10ClN3OS — CID 24656804

IUPAC2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ncnc3cc(Cl)ccc23)oc1C
InChIInChI=1S/C13H10ClN3OS/c1-7-8(2)18-13(17-7)19-12-10-4-3-9(14)5-11(10)15-6-16-12/h3-6H,1-2H3
InChIKeyNKJUCGXDPRVUQX-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.04
Rot. Bonds2

About 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 24656804) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID24656804
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ncnc3cc(Cl)ccc23)oc1C
InChIInChI=1S/C13H10ClN3OS/c1-7-8(2)18-13(17-7)19-12-10-4-3-9(14)5-11(10)15-6-16-12/h3-6H,1-2H3
InChIKeyNKJUCGXDPRVUQX-UHFFFAOYSA-N
XLogP4.04
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (CID 24656804) is 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2ncnc3cc(Cl)ccc23)oc1C.
What is the InChIKey of 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is NKJUCGXDPRVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-7-8(2)18-13(17-7)19-12-10-4-3-9(14)5-11(10)15-6-16-12/h3-6H,1-2H3.
What are the key properties of 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 291.76 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinazolin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 24656804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).