2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole

C20H15N5OS — CID 55482715

IUPAC2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESCc1nc2c3ccccc3nc(SCc3ncc(-c4ccccc4)o3)n2n1
InChIInChI=1S/C20H15N5OS/c1-13-22-19-15-9-5-6-10-16(15)23-20(25(19)24-13)27-12-18-21-11-17(26-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyAETFIESIKAOHMK-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.53
Rot. Bonds4

About 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole

2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole (PubChem CID 55482715) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
PubChem CID55482715
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
SMILESCc1nc2c3ccccc3nc(SCc3ncc(-c4ccccc4)o3)n2n1
InChIInChI=1S/C20H15N5OS/c1-13-22-19-15-9-5-6-10-16(15)23-20(25(19)24-13)27-12-18-21-11-17(26-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyAETFIESIKAOHMK-UHFFFAOYSA-N
XLogP4.53
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole (CID 55482715) is 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole is Cc1nc2c3ccccc3nc(SCc3ncc(-c4ccccc4)o3)n2n1.
What is the InChIKey of 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
The InChIKey is AETFIESIKAOHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c1-13-22-19-15-9-5-6-10-16(15)23-20(25(19)24-13)27-12-18-21-11-17(26-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole?
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole has a molecular weight of 373.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 55482715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).