[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone

C13H18N4O2 — CID 95720196

IUPAC[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone
SMILESCC1=NO[C@](C)(C(=O)N2CCCn3cncc3C2)C1
InChIInChI=1S/C13H18N4O2/c1-10-6-13(2,19-15-10)12(18)16-4-3-5-17-9-14-7-11(17)8-16/h7,9H,3-6,8H2,1-2H3/t13-/m0/s1
InChIKeyKUPDRDPGIQVTEJ-ZDUSSCGKSA-N
MW262.31 g/mol
LogP1.17
Rot. Bonds1

About [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone

[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone (PubChem CID 95720196) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone.

Molecular Properties

Compound Name[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone
PubChem CID95720196
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone
SMILESCC1=NO[C@](C)(C(=O)N2CCCn3cncc3C2)C1
InChIInChI=1S/C13H18N4O2/c1-10-6-13(2,19-15-10)12(18)16-4-3-5-17-9-14-7-11(17)8-16/h7,9H,3-6,8H2,1-2H3/t13-/m0/s1
InChIKeyKUPDRDPGIQVTEJ-ZDUSSCGKSA-N
XLogP1.17
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone?
The IUPAC name of [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone (CID 95720196) is [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone.
What is the SMILES notation for [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone?
The canonical SMILES for [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone is CC1=NO[C@](C)(C(=O)N2CCCn3cncc3C2)C1.
What is the InChIKey of [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone?
The InChIKey is KUPDRDPGIQVTEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-6-13(2,19-15-10)12(18)16-4-3-5-17-9-14-7-11(17)8-16/h7,9H,3-6,8H2,1-2H3/t13-/m0/s1.
What are the key properties of [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone?
[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)methanone is sourced from PubChem (CID 95720196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).