3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine

C18H20N2OS — CID 141063203

IUPAC3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2C2CCCc3ccccc32)s1
InChIInChI=1S/C18H20N2OS/c1-12-9-10-17(22-12)16-11-18(19)21-20(16)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15-16H,4,6,8,19H2,1H3
InChIKeyHIDNWJFDGNMBSA-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.22
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine

3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063203) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063203
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2C2CCCc3ccccc32)s1
InChIInChI=1S/C18H20N2OS/c1-12-9-10-17(22-12)16-11-18(19)21-20(16)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15-16H,4,6,8,19H2,1H3
InChIKeyHIDNWJFDGNMBSA-UHFFFAOYSA-N
XLogP4.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine (CID 141063203) is 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine is Cc1ccc(C2C=C(N)ON2C2CCCc3ccccc32)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is HIDNWJFDGNMBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-12-9-10-17(22-12)16-11-18(19)21-20(16)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,9-11,15-16H,4,6,8,19H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine?
3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 312.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).