N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

C18H18N6O2S — CID 540802

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)no1
InChIInChI=1S/C18H18N6O2S/c1-10(2)24-13-7-5-4-6-12(13)16-17(24)20-18(22-21-16)27-9-15(25)19-14-8-11(3)26-23-14/h4-8,10H,9H2,1-3H3,(H,19,23,25)
InChIKeyHDTLEAGQWQLYRY-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.59
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (PubChem CID 540802) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
PubChem CID540802
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)no1
InChIInChI=1S/C18H18N6O2S/c1-10(2)24-13-7-5-4-6-12(13)16-17(24)20-18(22-21-16)27-9-15(25)19-14-8-11(3)26-23-14/h4-8,10H,9H2,1-3H3,(H,19,23,25)
InChIKeyHDTLEAGQWQLYRY-UHFFFAOYSA-N
XLogP3.59
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CID 540802) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
The InChIKey is HDTLEAGQWQLYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-10(2)24-13-7-5-4-6-12(13)16-17(24)20-18(22-21-16)27-9-15(25)19-14-8-11(3)26-23-14/h4-8,10H,9H2,1-3H3,(H,19,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 540802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).