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

C17H23N3O — CID 106389948

IUPAC5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole
SMILESCc1cnc(C(C)N2CCCNC(c3ccccc3)C2)o1
InChIInChI=1S/C17H23N3O/c1-13-11-19-17(21-13)14(2)20-10-6-9-18-16(12-20)15-7-4-3-5-8-15/h3-5,7-8,11,14,16,18H,6,9-10,12H2,1-2H3
InChIKeyNPHZDPBHGWVWKB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds3

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

5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole (PubChem CID 106389948) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole
PubChem CID106389948
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole
SMILESCc1cnc(C(C)N2CCCNC(c3ccccc3)C2)o1
InChIInChI=1S/C17H23N3O/c1-13-11-19-17(21-13)14(2)20-10-6-9-18-16(12-20)15-7-4-3-5-8-15/h3-5,7-8,11,14,16,18H,6,9-10,12H2,1-2H3
InChIKeyNPHZDPBHGWVWKB-UHFFFAOYSA-N
XLogP3.08
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64949839
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane
CID 64945308
5-methyl-2-[1-(3-propylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 106389972
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propan-2-ylpiperidin-3-amine
CID 103895042
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
CID 106390497
1-(1-cyclopropylbutan-2-yl)-3-phenyl-1,4-diazepane
CID 64949626
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-5-methyl-1,3-oxazole
CID 103895043
1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-N-propylpiperidin-3-amine
CID 114182566
1-[(5-methylpyrazin-2-yl)methyl]-3-phenyl-1,4-diazepane
CID 64949388
1-(1-cyclohexylethyl)-3-phenylpiperazine
CID 64953769
3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole (CID 106389948) is 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole is Cc1cnc(C(C)N2CCCNC(c3ccccc3)C2)o1.
What is the InChIKey of 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole?
The InChIKey is NPHZDPBHGWVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-11-19-17(21-13)14(2)20-10-6-9-18-16(12-20)15-7-4-3-5-8-15/h3-5,7-8,11,14,16,18H,6,9-10,12H2,1-2H3.
What are the key properties of 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole?
5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole has a molecular weight of 285.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-oxazole is sourced from PubChem (CID 106389948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).