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

C16H22N2OS — CID 141063275

IUPAC2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1CCC1=CCCCC1
InChIInChI=1S/C16H22N2OS/c1-12-8-10-20-16(12)14-11-15(17)19-18(14)9-7-13-5-3-2-4-6-13/h5,8,10-11,14H,2-4,6-7,9,17H2,1H3
InChIKeyJMAWFUZCWXJAHK-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.04
Rot. Bonds4

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

2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063275) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063275
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1C=C(N)ON1CCC1=CCCCC1
InChIInChI=1S/C16H22N2OS/c1-12-8-10-20-16(12)14-11-15(17)19-18(14)9-7-13-5-3-2-4-6-13/h5,8,10-11,14H,2-4,6-7,9,17H2,1H3
InChIKeyJMAWFUZCWXJAHK-UHFFFAOYSA-N
XLogP4.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine (CID 141063275) is 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is Cc1ccsc1C1C=C(N)ON1CCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is JMAWFUZCWXJAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-8-10-20-16(12)14-11-15(17)19-18(14)9-7-13-5-3-2-4-6-13/h5,8,10-11,14H,2-4,6-7,9,17H2,1H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine?
2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 290.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).