5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine

C23H28N4O2 — CID 10046054

IUPAC5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(Nc2ncc(-c3cccc(OC4CCCC4)c3)o2)cn1
InChIInChI=1S/C23H28N4O2/c1-3-27(4-2)22-13-12-18(15-24-22)26-23-25-16-21(29-23)17-8-7-11-20(14-17)28-19-9-5-6-10-19/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,25,26)
InChIKeyNSIVRUWKTOCLDI-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.65
Rot. Bonds8

About 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine

5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine (PubChem CID 10046054) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine
PubChem CID10046054
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(Nc2ncc(-c3cccc(OC4CCCC4)c3)o2)cn1
InChIInChI=1S/C23H28N4O2/c1-3-27(4-2)22-13-12-18(15-24-22)26-23-25-16-21(29-23)17-8-7-11-20(14-17)28-19-9-5-6-10-19/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,25,26)
InChIKeyNSIVRUWKTOCLDI-UHFFFAOYSA-N
XLogP5.65
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697274
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(oxolan-3-yloxy)phenyl]-1,3-oxazol-2-amine
CID 18439737
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(2-methylpropoxy)phenyl]-1,3-oxazol-2-amine
CID 18439698
N-[6-(diethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 43705952
5-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 64760620
2-N,2-N-diethyl-5-N-(2-methylsulfonylcyclopentyl)pyridine-2,5-diamine
CID 65043880
(3-cyclopentyloxyphenyl)hydrazine
CID 55281400
4-chloro-2-(3-cyclopentyloxyphenyl)-1-ethylbenzene
CID 123576563
[3-(3-cyclobutyloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117364923
4-(3-cyclopentyloxyphenyl)-1-methylpyrazol-5-amine
CID 117397015
N-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,3-oxazol-2-amine
CID 11572645
N-ethyl-1-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181244

Frequently Asked Questions

What is the IUPAC name of 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine (CID 10046054) is 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine is CCN(CC)c1ccc(Nc2ncc(-c3cccc(OC4CCCC4)c3)o2)cn1.
What is the InChIKey of 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine?
The InChIKey is NSIVRUWKTOCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-27(4-2)22-13-12-18(15-24-22)26-23-25-16-21(29-23)17-8-7-11-20(14-17)28-19-9-5-6-10-19/h7-8,11-16,19H,3-6,9-10H2,1-2H3,(H,25,26).
What are the key properties of 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine?
5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine has a molecular weight of 392.50 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-(3-cyclopentyloxyphenyl)-1,3-oxazol-2-yl]-2-N,2-N-diethylpyridine-2,5-diamine is sourced from PubChem (CID 10046054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).