5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

C18H24N6O — CID 56887822

IUPAC5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2ccnc2-c2cc3n(n2)CCCNC3)no1
InChIInChI=1S/C18H24N6O/c1-13(2)8-16-9-14(22-25-16)12-23-7-5-20-18(23)17-10-15-11-19-4-3-6-24(15)21-17/h5,7,9-10,13,19H,3-4,6,8,11-12H2,1-2H3
InChIKeyCVDWJXXFZZCPAY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds5

About 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 56887822) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID56887822
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2ccnc2-c2cc3n(n2)CCCNC3)no1
InChIInChI=1S/C18H24N6O/c1-13(2)8-16-9-14(22-25-16)12-23-7-5-20-18(23)17-10-15-11-19-4-3-6-24(15)21-17/h5,7,9-10,13,19H,3-4,6,8,11-12H2,1-2H3
InChIKeyCVDWJXXFZZCPAY-UHFFFAOYSA-N
XLogP2.47
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 56887822) is 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is CC(C)Cc1cc(Cn2ccnc2-c2cc3n(n2)CCCNC3)no1.
What is the InChIKey of 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is CVDWJXXFZZCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13(2)8-16-9-14(22-25-16)12-23-7-5-20-18(23)17-10-15-11-19-4-3-6-24(15)21-17/h5,7,9-10,13,19H,3-4,6,8,11-12H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 340.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56887822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).