5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine

C16H18N4O — CID 79224287

IUPAC5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine
SMILESCc1noc(C)c1C(C)Nc1ccc(N)c2cnccc12
InChIInChI=1S/C16H18N4O/c1-9(16-10(2)20-21-11(16)3)19-15-5-4-14(17)13-8-18-7-6-12(13)15/h4-9,19H,17H2,1-3H3
InChIKeyCTYUBHVRBYCDAX-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.59
Rot. Bonds3

About 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine

5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine (PubChem CID 79224287) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine
PubChem CID79224287
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine
SMILESCc1noc(C)c1C(C)Nc1ccc(N)c2cnccc12
InChIInChI=1S/C16H18N4O/c1-9(16-10(2)20-21-11(16)3)19-15-5-4-14(17)13-8-18-7-6-12(13)15/h4-9,19H,17H2,1-3H3
InChIKeyCTYUBHVRBYCDAX-UHFFFAOYSA-N
XLogP3.59
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine with MolForge

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Related Compounds

1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 79225191
5-N-(3,3-dimethylbutan-2-yl)isoquinoline-5,8-diamine
CID 104827477
5-N-(2-methylpentan-3-yl)isoquinoline-5,8-diamine
CID 54954555
1-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041311
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 43448707
methyl 5-amino-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzoate
CID 79231115
2-[(5-aminoisoquinolin-8-yl)amino]-N-tert-butylpropanamide
CID 103139066
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 79241805
8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine
CID 103137655
5-N-(2-methylcyclopropyl)isoquinoline-5,8-diamine
CID 62397116

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine?
The IUPAC name of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine (CID 79224287) is 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine?
The canonical SMILES for 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine is Cc1noc(C)c1C(C)Nc1ccc(N)c2cnccc12.
What is the InChIKey of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine?
The InChIKey is CTYUBHVRBYCDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9(16-10(2)20-21-11(16)3)19-15-5-4-14(17)13-8-18-7-6-12(13)15/h4-9,19H,17H2,1-3H3.
What are the key properties of 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine?
5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine has a molecular weight of 282.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]isoquinoline-5,8-diamine is sourced from PubChem (CID 79224287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).