2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole

C15H19N3O — CID 82483111

IUPAC2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc(N3CCCNCC3)cc2)o1
InChIInChI=1S/C15H19N3O/c1-12-11-17-15(19-12)13-3-5-14(6-4-13)18-9-2-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyFUFCCPFWZLMPCY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.45
Rot. Bonds2

About 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole

2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole (PubChem CID 82483111) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole
PubChem CID82483111
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc(N3CCCNCC3)cc2)o1
InChIInChI=1S/C15H19N3O/c1-12-11-17-15(19-12)13-3-5-14(6-4-13)18-9-2-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3
InChIKeyFUFCCPFWZLMPCY-UHFFFAOYSA-N
XLogP2.45
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,4-diazepane
CID 82482734
2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 170665199
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
CID 82478157
1-[4-(4-chlorophenyl)phenyl]-1,4-diazepane
CID 16755362
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290
1-[4-(methoxymethoxy)phenyl]-1,4-diazepane
CID 65364808
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole
CID 167842873
1-[4-(2-fluoroethoxy)phenyl]-1,4-diazepane
CID 80693994

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole (CID 82483111) is 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole is Cc1cnc(-c2ccc(N3CCCNCC3)cc2)o1.
What is the InChIKey of 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole?
The InChIKey is FUFCCPFWZLMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-11-17-15(19-12)13-3-5-14(6-4-13)18-9-2-7-16-8-10-18/h3-6,11,16H,2,7-10H2,1H3.
What are the key properties of 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole?
2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole has a molecular weight of 257.34 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 82483111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).