(4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine

C8H8N2OS — CID 82125272

IUPAC(4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine
SMILESNCc1ocnc1-c1cccs1
InChIInChI=1S/C8H8N2OS/c9-4-6-8(10-5-11-6)7-2-1-3-12-7/h1-3,5H,4,9H2
InChIKeyQMXDWIQONIWODS-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.86
Rot. Bonds2

About (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine

(4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine (PubChem CID 82125272) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine
PubChem CID82125272
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name(4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine
SMILESNCc1ocnc1-c1cccs1
InChIInChI=1S/C8H8N2OS/c9-4-6-8(10-5-11-6)7-2-1-3-12-7/h1-3,5H,4,9H2
InChIKeyQMXDWIQONIWODS-UHFFFAOYSA-N
XLogP1.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine (CID 82125272) is (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine is NCc1ocnc1-c1cccs1.
What is the InChIKey of (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
The InChIKey is QMXDWIQONIWODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c9-4-6-8(10-5-11-6)7-2-1-3-12-7/h1-3,5H,4,9H2.
What are the key properties of (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
(4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine has a molecular weight of 180.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 82125272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).