4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline

C15H18N2OS — CID 107131578

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline
SMILESCc1nc(-c2ccc(NCC3CCSC3)cc2)co1
InChIInChI=1S/C15H18N2OS/c1-11-17-15(9-18-11)13-2-4-14(5-3-13)16-8-12-6-7-19-10-12/h2-5,9,12,16H,6-8,10H2,1H3
InChIKeyJEUDSYNWFHZKPH-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.82
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline

4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline (PubChem CID 107131578) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline
PubChem CID107131578
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline
SMILESCc1nc(-c2ccc(NCC3CCSC3)cc2)co1
InChIInChI=1S/C15H18N2OS/c1-11-17-15(9-18-11)13-2-4-14(5-3-13)16-8-12-6-7-19-10-12/h2-5,9,12,16H,6-8,10H2,1H3
InChIKeyJEUDSYNWFHZKPH-UHFFFAOYSA-N
XLogP3.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline (CID 107131578) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline is Cc1nc(-c2ccc(NCC3CCSC3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline?
The InChIKey is JEUDSYNWFHZKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-17-15(9-18-11)13-2-4-14(5-3-13)16-8-12-6-7-19-10-12/h2-5,9,12,16H,6-8,10H2,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline has a molecular weight of 274.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(thiolan-3-ylmethyl)aniline is sourced from PubChem (CID 107131578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).