4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole

C15H18N2OS — CID 66290706

IUPAC4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSCC3CNC3)co2)cc1
InChIInChI=1S/C15H18N2OS/c1-11-2-4-13(5-3-11)15-17-14(8-18-15)10-19-9-12-6-16-7-12/h2-5,8,12,16H,6-7,9-10H2,1H3
InChIKeySGIOLXNYGJNJNP-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds5

About 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole

4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 66290706) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
PubChem CID66290706
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CSCC3CNC3)co2)cc1
InChIInChI=1S/C15H18N2OS/c1-11-2-4-13(5-3-11)15-17-14(8-18-15)10-19-9-12-6-16-7-12/h2-5,8,12,16H,6-7,9-10H2,1H3
InChIKeySGIOLXNYGJNJNP-UHFFFAOYSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole (CID 66290706) is 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(CSCC3CNC3)co2)cc1.
What is the InChIKey of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is SGIOLXNYGJNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-2-4-13(5-3-11)15-17-14(8-18-15)10-19-9-12-6-16-7-12/h2-5,8,12,16H,6-7,9-10H2,1H3.
What are the key properties of 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole?
4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 274.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 66290706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).