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

C9H10N2OS — CID 82125768

IUPAC(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine
SMILESCc1nc(-c2cccs2)c(CN)o1
InChIInChI=1S/C9H10N2OS/c1-6-11-9(7(5-10)12-6)8-3-2-4-13-8/h2-4H,5,10H2,1H3
InChIKeyUZBCQNWMPMSVOF-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.17
Rot. Bonds2

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

(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine (PubChem CID 82125768) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine
PubChem CID82125768
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine
SMILESCc1nc(-c2cccs2)c(CN)o1
InChIInChI=1S/C9H10N2OS/c1-6-11-9(7(5-10)12-6)8-3-2-4-13-8/h2-4H,5,10H2,1H3
InChIKeyUZBCQNWMPMSVOF-UHFFFAOYSA-N
XLogP2.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
The IUPAC name of (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine (CID 82125768) is (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
The canonical SMILES for (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine is Cc1nc(-c2cccs2)c(CN)o1.
What is the InChIKey of (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
The InChIKey is UZBCQNWMPMSVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-11-9(7(5-10)12-6)8-3-2-4-13-8/h2-4H,5,10H2,1H3.
What are the key properties of (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine?
(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine has a molecular weight of 194.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 82125768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).