2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H25N5O3 — CID 91765747

IUPAC2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCn3nc(C(O)C4CCC4)cc3C2)no1
InChIInChI=1S/C18H25N5O3/c1-12-8-16(21-26-12)19-17(24)11-22-6-3-7-23-14(10-22)9-15(20-23)18(25)13-4-2-5-13/h8-9,13,18,25H,2-7,10-11H2,1H3,(H,19,21,24)
InChIKeyCNQHMGGXDHKJHK-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.86
Rot. Bonds5

About 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 91765747) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID91765747
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCn3nc(C(O)C4CCC4)cc3C2)no1
InChIInChI=1S/C18H25N5O3/c1-12-8-16(21-26-12)19-17(24)11-22-6-3-7-23-14(10-22)9-15(20-23)18(25)13-4-2-5-13/h8-9,13,18,25H,2-7,10-11H2,1H3,(H,19,21,24)
InChIKeyCNQHMGGXDHKJHK-UHFFFAOYSA-N
XLogP1.86
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 91765747) is 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCCn3nc(C(O)C4CCC4)cc3C2)no1.
What is the InChIKey of 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is CNQHMGGXDHKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-8-16(21-26-12)19-17(24)11-22-6-3-7-23-14(10-22)9-15(20-23)18(25)13-4-2-5-13/h8-9,13,18,25H,2-7,10-11H2,1H3,(H,19,21,24).
What are the key properties of 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclobutyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 91765747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).