4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone

C15H13N5O2 — CID 99826951

IUPAC4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2Cc3cnnn3Cc3ccccc32)no1
InChIInChI=1S/C15H13N5O2/c1-10-6-13(17-22-10)15(21)19-9-12-7-16-18-20(12)8-11-4-2-3-5-14(11)19/h2-7H,8-9H2,1H3
InChIKeyXZAASMUWNUFOMY-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.78
Rot. Bonds1

About 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone

4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 99826951) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID99826951
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2Cc3cnnn3Cc3ccccc32)no1
InChIInChI=1S/C15H13N5O2/c1-10-6-13(17-22-10)15(21)19-9-12-7-16-18-20(12)8-11-4-2-3-5-14(11)19/h2-7H,8-9H2,1H3
InChIKeyXZAASMUWNUFOMY-UHFFFAOYSA-N
XLogP1.78
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone (CID 99826951) is 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2Cc3cnnn3Cc3ccccc32)no1.
What is the InChIKey of 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is XZAASMUWNUFOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-10-6-13(17-22-10)15(21)19-9-12-7-16-18-20(12)8-11-4-2-3-5-14(11)19/h2-7H,8-9H2,1H3.
What are the key properties of 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 295.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dihydrotriazolo[5,1-c][1,4]benzodiazepin-5-yl-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 99826951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).