2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine

C17H23N3O2 — CID 141063419

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine
SMILESCOc1ccc(C2C=C(N)ON2CCC2=CCCCC2)cn1
InChIInChI=1S/C17H23N3O2/c1-21-17-8-7-14(12-19-17)15-11-16(18)22-20(15)10-9-13-5-3-2-4-6-13/h5,7-8,11-12,15H,2-4,6,9-10,18H2,1H3
InChIKeyIRSZDDPLACBRLN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine

2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine (PubChem CID 141063419) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine
PubChem CID141063419
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine
SMILESCOc1ccc(C2C=C(N)ON2CCC2=CCCCC2)cn1
InChIInChI=1S/C17H23N3O2/c1-21-17-8-7-14(12-19-17)15-11-16(18)22-20(15)10-9-13-5-3-2-4-6-13/h5,7-8,11-12,15H,2-4,6,9-10,18H2,1H3
InChIKeyIRSZDDPLACBRLN-UHFFFAOYSA-N
XLogP3.07
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine with MolForge

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Related Compounds

2-(1-methoxypropan-2-yl)-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine
CID 141063314
3-(6-methoxy-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
CID 141063449
3-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 107850902
5-cyclopentyl-2-methoxypyridine
CID 102520175
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-amino-4-(6-methoxy-3-pyridinyl)-3-methyl-4H-imidazol-2-one
CID 114939049
2-(6-methoxy-3-pyridinyl)-1-methylpiperidin-3-amine
CID 114938614
[1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 106649305
2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268637
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452
2-(cyclohexen-1-yl)ethoxy-trimethylsilane
CID 552743
1-cycloheptyl-4-[2-(cyclohexen-1-yl)ethyl]-3-(4-methoxyphenyl)piperazine-2,5-dione
CID 3401053

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine (CID 141063419) is 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine is COc1ccc(C2C=C(N)ON2CCC2=CCCCC2)cn1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine?
The InChIKey is IRSZDDPLACBRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-17-8-7-14(12-19-17)15-11-16(18)22-20(15)10-9-13-5-3-2-4-6-13/h5,7-8,11-12,15H,2-4,6,9-10,18H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine?
2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine has a molecular weight of 301.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-3-(6-methoxy-3-pyridinyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).