N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide

C18H15N5O2S — CID 16823997

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3cccnc3Nc3ccccc32)no1
InChIInChI=1S/C18H15N5O2S/c1-11-9-15(23-25-11)22-16(24)10-26-18-12-5-2-3-6-13(12)20-17-14(21-18)7-4-8-19-17/h2-9H,10H2,1H3,(H,19,20)(H,22,23,24)
InChIKeyJCPNOACDRFHDPT-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.89
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide (PubChem CID 16823997) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide
PubChem CID16823997
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3cccnc3Nc3ccccc32)no1
InChIInChI=1S/C18H15N5O2S/c1-11-9-15(23-25-11)22-16(24)10-26-18-12-5-2-3-6-13(12)20-17-14(21-18)7-4-8-19-17/h2-9H,10H2,1H3,(H,19,20)(H,22,23,24)
InChIKeyJCPNOACDRFHDPT-UHFFFAOYSA-N
XLogP3.89
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide (CID 16823997) is N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide is Cc1cc(NC(=O)CSC2=Nc3cccnc3Nc3ccccc32)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide?
The InChIKey is JCPNOACDRFHDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-9-15(23-25-11)22-16(24)10-26-18-12-5-2-3-6-13(12)20-17-14(21-18)7-4-8-19-17/h2-9H,10H2,1H3,(H,19,20)(H,22,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide has a molecular weight of 365.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 16823997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).