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

C22H25N3O3 — CID 25378232

IUPACfuran-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(-c2nc(CN3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-6-8-18(9-7-16)21-23-19(17(2)28-21)15-24-10-4-11-25(13-12-24)22(26)20-5-3-14-27-20/h3,5-9,14H,4,10-13,15H2,1-2H3
InChIKeyJKCUEUVJUMFKBZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.90
Rot. Bonds4

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

furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 25378232) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
PubChem CID25378232
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Namefuran-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(-c2nc(CN3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc1
InChIInChI=1S/C22H25N3O3/c1-16-6-8-18(9-7-16)21-23-19(17(2)28-21)15-24-10-4-11-25(13-12-24)22(26)20-5-3-14-27-20/h3,5-9,14H,4,10-13,15H2,1-2H3
InChIKeyJKCUEUVJUMFKBZ-UHFFFAOYSA-N
XLogP3.90
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
[4-(furan-2-carbonyl)piperazin-1-yl]-[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]methanone
CID 20916699
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
1-(4-benzylpiperazin-1-yl)-2-[(R)-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]ethanone
CID 92662628
(3,5-dimethoxyphenyl)-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55598801

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone (CID 25378232) is furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone is Cc1ccc(-c2nc(CN3CCCN(C(=O)c4ccco4)CC3)c(C)o2)cc1.
What is the InChIKey of furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is JKCUEUVJUMFKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-6-8-18(9-7-16)21-23-19(17(2)28-21)15-24-10-4-11-25(13-12-24)22(26)20-5-3-14-27-20/h3,5-9,14H,4,10-13,15H2,1-2H3.
What are the key properties of furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone?
furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 25378232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).