(2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

C18H25N5O2 — CID 138025303

IUPAC(2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1cc(CN2CCCN(C(=O)c3ccnn3C3CCC3)CC2)no1
InChIInChI=1S/C18H25N5O2/c1-14-12-15(20-25-14)13-21-8-3-9-22(11-10-21)18(24)17-6-7-19-23(17)16-4-2-5-16/h6-7,12,16H,2-5,8-11,13H2,1H3
InChIKeyNQTWOPSSUHMZPG-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.25
Rot. Bonds4

About (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

(2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 138025303) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID138025303
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1cc(CN2CCCN(C(=O)c3ccnn3C3CCC3)CC2)no1
InChIInChI=1S/C18H25N5O2/c1-14-12-15(20-25-14)13-21-8-3-9-22(11-10-21)18(24)17-6-7-19-23(17)16-4-2-5-16/h6-7,12,16H,2-5,8-11,13H2,1H3
InChIKeyNQTWOPSSUHMZPG-UHFFFAOYSA-N
XLogP2.25
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423049
(3,4-dichlorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423059
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110646494
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
(2-chloro-6-fluorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110646489
[(1R,2S)-2-aminocyclopentyl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 124697211
2-(4-fluorophenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110423065
2-(3,4-dimethoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110646485
2-(2-methoxyphenoxy)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110646491
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
CID 110646405

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 138025303) is (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone is Cc1cc(CN2CCCN(C(=O)c3ccnn3C3CCC3)CC2)no1.
What is the InChIKey of (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is NQTWOPSSUHMZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-12-15(20-25-14)13-21-8-3-9-22(11-10-21)18(24)17-6-7-19-23(17)16-4-2-5-16/h6-7,12,16H,2-5,8-11,13H2,1H3.
What are the key properties of (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone?
(2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylpyrazol-3-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138025303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).